Matches any text strings used to describe a molecule.
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 7 results

Search term: IVHWWYNBMIROCV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5140658

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17?,18?,19-,20+,21-,22+,25+,26-,27-,28+/m0/s1
C28H38O7486.59717600
5140829

6 of 10 defined stereocentres - 6/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17?,18?,19-,20-,21+,22?,25-,26+,27+,28?/m1/s1
C28H38O7486.59716400
23339403

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17-,18+,19+,20-,21+,22-,25-,26+,27+,28-/m1/s1
C28H38O7486.59715500
3200468

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3
C28H38O7486.59712100
68027464

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17-,18+,19+,20?,21+,22-,25-,26+,27+,28-/m1/s1
C28H38O7486.59712200
26358758

3 of 10 defined stereocentres - 3/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17?,18?,19?,20?,21?,22?,25-,26-,27-,28?/m0/s1
C28H38O7486.59711100
26373838

4 of 10 defined stereocentres - 4/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17?,18?,19?,20?,21?,22?,25-,26-,27-,28-/m0/s1
C28H38O7486.59711100

Advertisement