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
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Found 4 results

Search term: WENLQSBQPMFCOA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
95504655

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H44O17/c1-42-18-6-13(4-5-17(18)47-32-27(40)25(38)23(36)21(9-34)48-32)29-15-11-46-30(16(15)12-45-29)14-7-19(43-2)31(20(8-14)44-3)50-33-28(41)26(39)24(37)22(10-35)49-33/h4-8,15-16,21-30,32-41H,9-12H2,1-3H3/t15-,16-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,32-,33+/m1/s1
C33H44O17712.69234300
4477643

10 of 14 defined stereocentres - 10/14 defined
InChI=1/C33H44O17/c1-42-18-6-13(4-5-17(18)47-32-27(40)25(38)23(36)21(9-34)48-32)29-15-11-46-30(16(15)12-45-29)14-7-19(43-2)31(20(8-14)44-3)50-33-28(41)26(39)24(37)22(10-35)49-33/h4-8,15-16,21-30,32-41H,9-12H2,1-3H3/t15?,16?,21-,22-,23-,24-,25+,26+,27-,28-,29?,30?,32-,33+/m1/s1
C33H44O17712.69232200
113609447

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H44O17/c1-42-18-6-13(4-5-17(18)47-32-27(40)25(38)23(36)21(9-34)48-32)29-15-11-46-30(16(15)12-45-29)14-7-19(43-2)31(20(8-14)44-3)50-33-28(41)26(39)24(37)22(10-35)49-33/h4-8,15-16,21-30,32-41H,9-12H2,1-3H3/t15-,16+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+,32+,33-/m1/s1
C33H44O17712.69231100
127404905

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H44O17/c1-42-18-6-13(4-5-17(18)47-32-27(40)25(38)23(36)21(9-34)48-32)29-15-11-46-30(16(15)12-45-29)14-7-19(43-2)31(20(8-14)44-3)50-33-28(41)26(39)24(37)22(10-35)49-33/h4-8,15-16,21-30,32-41H,9-12H2,1-3H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,32+,33-/m1/s1
C33H44O17712.69231100

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