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 5 results

Search term: IOTCSGQSXGEYTR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20198434

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17Cl2N3O/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12/h2-8,10,17,21,24H,1,9,11H2
C18H17Cl2N3O362.2531131100
3055339

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17Cl2N3O/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12/h2-8,10,17,21,24H,1,9,11H2/b21-18+
C18H17Cl2N3O362.253083200
4331114

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H17Cl2N3O/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12/h2-8,10,17,21,24H,1,9,11H2/p+1
C18H18Cl2N3O363.261022100
1160451

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17Cl2N3O/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12/h2-8,10,17,21,24H,1,9,11H2/p+1/t17-/m0/s1
C18H18Cl2N3O363.26052100
1160452

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H17Cl2N3O/c1-2-9-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-7-8-13(19)14(20)10-12/h2-8,10,17,21,24H,1,9,11H2/p+1/t17-/m1/s1
C18H18Cl2N3O363.26052100

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