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 3 results

Search term: YMBCQAMVBMTDAL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28488524

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C30H31NO9/c1-4-5-8-17-30(37)40-29-16-10-13(2)11-18(32)22(16)24-25(31(17)29)28(36)23-15(27(24)35)7-6-9-20(23)39-21-12-19(33)26(34)14(3)38-21/h6-7,9-11,14,17,19,21,26,29,32-34H,4-5,8,12H2,1-3H3/t14-,17+,19+,21-,26-,29?/m0/s1
C30H31NO9549.56844400
59004541

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C30H31NO9/c1-4-5-8-17-30(37)40-29-16-10-13(2)11-18(32)22(16)24-25(31(17)29)28(36)23-15(27(24)35)7-6-9-20(23)39-21-12-19(33)26(34)14(3)38-21/h6-7,9-11,14,17,19,21,26,29,32-34H,4-5,8,12H2,1-3H3/t14-,17?,19+,21-,26-,29?/m0/s1
C30H31NO9549.56842200
78445532

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C30H31NO9/c1-4-5-8-17-30(37)40-29-16-10-13(2)11-18(32)22(16)24-25(31(17)29)28(36)23-15(27(24)35)7-6-9-20(23)39-21-12-19(33)26(34)14(3)38-21/h6-7,9-11,14,17,19,21,26,29,32-34H,4-5,8,12H2,1-3H3/t14?,17-,19?,21+,26+,29?/m1/s1
C30H31NO9549.56841100

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