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: QWFYIWMOQSYCBY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9290800

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H76O19/c1-18(2)6-9-25(49)19(3)31-26(60-42-39(57)36(54)33(51)28(16-47)62-42)14-24-22-8-7-20-12-21(48)13-30(45(20,5)23(22)10-11-44(24,31)4)64-43-40(58)37(55)34(52)29(63-43)17-59-41-38(56)35(53)32(50)27(15-46)61-41/h7,18-19,21-43,46-58H,6,8-17H2,1-5H3/t19-,21-,22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+/m1/s1
C45H76O19921.07352100
57641776

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C45H76O19/c1-18(2)6-9-25(49)19(3)31-26(60-42-39(57)36(54)33(51)28(16-47)62-42)14-24-22-8-7-20-12-21(48)13-30(45(20,5)23(22)10-11-44(24,31)4)64-43-40(58)37(55)34(52)29(63-43)17-59-41-38(56)35(53)32(50)27(15-46)61-41/h7,18-19,21-43,46-58H,6,8-17H2,1-5H3/t19-,21-,22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44?,45+/m1/s1
C45H76O19921.07351100
129306101

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C45H76O19/c1-18(2)6-9-25(49)19(3)31-26(60-42-39(57)36(54)33(51)28(16-47)62-42)14-24-22-8-7-20-12-21(48)13-30(45(20,5)23(22)10-11-44(24,31)4)64-43-40(58)37(55)34(52)29(63-43)17-59-41-38(56)35(53)32(50)27(15-46)61-41/h7,18-19,21-43,46-58H,6,8-17H2,1-5H3/t19-,21-,22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43+,44+,45+/m1/s1
C45H76O19921.07351100

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