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 7 results

Search term: QTZXSYBVOSXBEJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5373190

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
C9H16N2O5S264.2987263100
16354472

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)
C9H16N2O5S264.298791128760
50660283

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6?/m1/s1
C9H16N2O5S264.29871100
78472838

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m1/s1
C9H16N2O5S264.29871100
115048948

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5-,6?/m0/s1
C9H16N2O5S264.29871100
120947580

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/t5?,6-/m0/s1
C9H16N2O5S264.29871100
5373189

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16N2O5S/c1-17-3-2-5(10)8(14)11-6(9(15)16)4-7(12)13/h5-6H,2-4,10H2,1H3,(H,11,14)(H,12,13)(H,15,16)/p-1/t5-,6-/m0/s1
C9H15N2O5S263.29131100

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