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: BLBUCDKAANQBPH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
374329

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H31NO12/c1-11-24(33)15(30)7-19(41-11)42-17-9-29(38,18(32)10-40-12(2)31)8-14-21(17)28(37)23-22(26(14)35)25(34)13-5-4-6-16(39-3)20(13)27(23)36/h4-6,11,15,17,19,24,33,35,37-38H,7-10,30H2,1-3H3
C29H31NO12585.55597600
140796

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H31NO12/c1-11-24(33)15(30)7-19(41-11)42-17-9-29(38,18(32)10-40-12(2)31)8-14-21(17)28(37)23-22(26(14)35)25(34)13-5-4-6-16(39-3)20(13)27(23)36/h4-6,11,15,17,19,24,33,35,37-38H,7-10,30H2,1-3H3/t11-,15-,17-,19-,24+,29-/m0/s1
C29H31NO12585.55594400
73981706

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

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