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
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Found 6 results

Search term: DLWAVFIOUHJFFQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
81424421

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13N3O4/c15-4-8-7(16)3-9(18-8)14-2-1-6-10(14)12-5-13-11(6)17/h1-2,5,7-9,15-16H,3-4H2,(H,12,13,17)/t7-,8+,9-/m0/s1
C11H13N3O4251.23865400
57267219

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13N3O4/c15-4-8-7(16)3-9(18-8)14-2-1-6-10(14)12-5-13-11(6)17/h1-2,5,7-9,15-16H,3-4H2,(H,12,13,17)/t7-,8+,9+/m0/s1
C11H13N3O4251.23864200
71116330

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13N3O4/c15-4-8-7(16)3-9(18-8)14-2-1-6-10(14)12-5-13-11(6)17/h1-2,5,7-9,15-16H,3-4H2,(H,12,13,17)/t7-,8-,9-/m1/s1
C11H13N3O4251.23861100
24726261

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H13N3O4/c15-4-8-7(16)3-9(18-8)14-2-1-6-10(14)12-5-13-11(6)17/h1-2,5,7-9,15-16H,3-4H2,(H,12,13,17)/t7-,8+,9+/m1/s1
C11H13N3O4251.23861200
29789223

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H13N3O4/c15-4-8-7(16)3-9(18-8)14-2-1-6-10(14)12-5-13-11(6)17/h1-2,5,7-9,15-16H,3-4H2,(H,12,13,17)/t7?,8-,9-/m1/s1
C11H13N3O4251.23861100
114394375

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H13N3O4/c15-4-8-7(16)3-9(18-8)14-2-1-6-10(14)12-5-13-11(6)17/h1-2,5,7-9,15-16H,3-4H2,(H,12,13,17)/t7-,8-,9-/m1/s1/i2T
C11H12TN3O4253.24671100

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