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: CNQNHUPAYGHTCI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9343760

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H29F3O6S/c1-3-4-13-23(36-25(32)20-9-8-10-21(17-20)27(28,29)30)26(15-14-19(18-26)16-24(31)35-2)37(33,34)22-11-6-5-7-12-22/h5-12,14-15,17,19,23H,3-4,13,16,18H2,1-2H3/t19-,23-,26-/m0/s1
C27H29F3O6S538.57582100
9413047

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H29F3O6S/c1-3-4-13-23(36-25(32)20-9-8-10-21(17-20)27(28,29)30)26(15-14-19(18-26)16-24(31)35-2)37(33,34)22-11-6-5-7-12-22/h5-12,14-15,17,19,23H,3-4,13,16,18H2,1-2H3/t19-,23-,26+/m0/s1
C27H29F3O6S538.57582100
9493623

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H29F3O6S/c1-3-4-13-23(36-25(32)20-9-8-10-21(17-20)27(28,29)30)26(15-14-19(18-26)16-24(31)35-2)37(33,34)22-11-6-5-7-12-22/h5-12,14-15,17,19,23H,3-4,13,16,18H2,1-2H3/t19-,23+,26+/m0/s1
C27H29F3O6S538.57582100
9493624

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H29F3O6S/c1-3-4-13-23(36-25(32)20-9-8-10-21(17-20)27(28,29)30)26(15-14-19(18-26)16-24(31)35-2)37(33,34)22-11-6-5-7-12-22/h5-12,14-15,17,19,23H,3-4,13,16,18H2,1-2H3/t19-,23+,26-/m0/s1
C27H29F3O6S538.57582100

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