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: QAFPIRVGDWNCDV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
111530

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3
C27H28O11528.5046102300
65427

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
C27H28O11528.50468500
286555

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10?,14?,16-,17?,22?,27-/m0/s1
C27H28O11528.50464200
34230449

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10-,14+,16+,17-,22-,27+/m1/s1
C27H28O11528.50462200
34230450

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10-,14+,16+,17+,22-,27+/m1/s1
C27H28O11528.50462200
19980961

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10-,14-,16-,17+,22-,27-/m0/s1
C27H28O11528.50461100
24813870

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C27H28O11/c1-10-22(30)14(29)7-17(37-10)38-16-9-27(35,11(2)28)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,29-30,32,34-35H,7-9H2,1-3H3/t10?,14?,16?,17?,22?,27-/m0/s1
C27H28O11528.50461100

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