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 2 results

Search term: LDTMLMHQMYAMSL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32699795

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C31H47NO10/c1-14-6-7-21-28(5,37)23-17(13-32(21)12-14)18-11-29-25(30(18,38)26(36)24(23)41-16(3)34)19(35)10-20-27(29,4)9-8-22(40-15(2)33)31(20,39)42-29/h14,17-26,35-39H,6-13H2,1-5H3/t14-,17-,18-,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-/m0/s1
C31H47NO10593.70563500
29985

4 of 16 defined stereocentres - 4/16 defined
InChI=1/C31H47NO10/c1-14-6-7-21-28(5,37)23-17(13-32(21)12-14)18-11-29-25(30(18,38)26(36)24(23)41-16(3)34)19(35)10-20-27(29,4)9-8-22(40-15(2)33)31(20,39)42-29/h14,17-26,35-39H,6-13H2,1-5H3/t14?,17?,18?,19-,20?,21?,22?,23?,24?,25?,26+,27?,28-,29?,30+,31?/m1/s1
C31H47NO10593.70562200

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