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: CAXWPNQGBOGSQH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4975957

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H19N2O14P3/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(26-10)6-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/b3-2+/t8-,9+,10+/m0/s1
C12H19N2O14P3508.20553300
4942886

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C12H19N2O14P3/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(26-10)6-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/b3-2+/t8?,9-,10-/m1/s1
C12H19N2O14P3508.20552200
120331310

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H19N2O14P3/c1-2-3-7-5-14(12(17)13-11(7)16)10-4-8(15)9(26-10)6-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-3,5,8-10,15H,4,6H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/b3-2+
C12H19N2O14P3508.20551100

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