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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 16 results

Search term: UZQBOFAUUTZOQE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445267

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
C28H47NO8525.674733588450
52083829

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11-/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
C28H47NO8525.67477600
29814022

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27?,28+/m1/s1
C28H47NO8525.67475300
4941159

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11-
C28H47NO8525.67473300
2298803

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3
C28H47NO8525.674682100
24890649

Charge

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/p+1/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
C28H48NO8526.68212200
21430954

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11-/t15-,16+,17?,18+,19-,20+,22-,24?,25+,27+,28+/m1/s1
C28H47NO8525.67471100
64849568

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11-/t15-,16+,17?,18+,19-,20-,22-,24?,25+,27+,28+/m1/s1
C28H47NO8525.67471200
76962750

Charge

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/p+1/b12-11-/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1
C28H48NO8526.68211100
78438464

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27-,28+/m1/s1
C28H47NO8525.67471100
79715664

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11-/t15-,16+,17-,18-,19-,20+,22-,24+,25+,27-,28-/m1/s1
C28H47NO8525.67471100
110803695

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22?,24-,25+,27+,28-/m1/s1
C28H47NO8525.67471100
110805721

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22?,24-,25+,27+,28+/m1/s1
C28H47NO8525.67471100
117033239

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17?,18+,19-,20-,22-,24?,25+,27+,28+/m1/s1
C28H47NO8525.67471100

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