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: WMMDWCWHMHGCSH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2298887

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H31NO12/c1-11-24(34)15(30-12(2)32)7-19(41-11)42-17-9-29(39,18(33)10-31)8-14-21(17)28(38)23-22(26(14)36)25(35)13-5-4-6-16(40-3)20(13)27(23)37/h4-6,11,15,17,19,24,31,34,36,38-39H,7-10H2,1-3H3,(H,30,32)/t11-,15-,17-,19-,24+,29-/m0/s1
C29H31NO12585.5559399999997500
135298

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H31NO12/c1-11-24(34)15(30-12(2)32)7-19(41-11)42-17-9-29(39,18(33)10-31)8-14-21(17)28(38)23-22(26(14)36)25(35)13-5-4-6-16(40-3)20(13)27(23)37/h4-6,11,15,17,19,24,31,34,36,38-39H,7-10H2,1-3H3,(H,30,32)
C29H31NO12585.55595400
283941

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C29H31NO12/c1-11-24(34)15(30-12(2)32)7-19(41-11)42-17-9-29(39,18(33)10-31)8-14-21(17)28(38)23-22(26(14)36)25(35)13-5-4-6-16(40-3)20(13)27(23)37/h4-6,11,15,17,19,24,31,34,36,38-39H,7-10H2,1-3H3,(H,30,32)/t11?,15?,17-,19?,24?,29-/m0/s1
C29H31NO12585.55593300
24814181

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C29H31NO12/c1-11-24(34)15(30-12(2)32)7-19(41-11)42-17-9-29(39,18(33)10-31)8-14-21(17)28(38)23-22(26(14)36)25(35)13-5-4-6-16(40-3)20(13)27(23)37/h4-6,11,15,17,19,24,31,34,36,38-39H,7-10H2,1-3H3,(H,30,32)/t11?,15?,17?,19?,24?,29-/m0/s1
C29H31NO12585.55591100

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