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 4 results

Search term: XGWWPIOYXPTSBV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8406266

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C20H35NO16/c1-5(25)21-9-11(27)10(26)6(2-22)34-19(9)36-17-8(4-24)35-20(15(31)13(17)29)37-16-7(3-23)33-18(32)14(30)12(16)28/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17+,18-,19+,20+/m1/s1
C20H35NO16545.4894300
88294200

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C20H35NO16/c1-5(25)21-9-11(27)10(26)6(2-22)34-19(9)36-17-8(4-24)35-20(15(31)13(17)29)37-16-7(3-23)33-18(32)14(30)12(16)28/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20-/m1/s1
C20H35NO16545.4892200
88294331

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C20H35NO16/c1-5(25)21-9-11(27)10(26)6(2-22)34-19(9)36-17-8(4-24)35-20(15(31)13(17)29)37-16-7(3-23)33-18(32)14(30)12(16)28/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18?,19+,20+/m1/s1
C20H35NO16545.4892200
88294396

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C20H35NO16/c1-5(25)21-9-11(27)10(26)6(2-22)34-19(9)36-17-8(4-24)35-20(15(31)13(17)29)37-16-7(3-23)33-18(32)14(30)12(16)28/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+/m1/s1
C20H35NO16545.4892200

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