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: SHHMYICJNAACAQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17763958

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)/b14-13+
C13H14N2O4S294.3263362800
2152387

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)/b14-13-
C13H14N2O4S294.32626261700
671371

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)/b14-13-/t10-/m0/s1
C13H14N2O4S294.32632100
671374

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)/b14-13-/t10-/m1/s1
C13H14N2O4S294.32632100
1293672

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)/p-1/b14-13-/t10-/m0/s1
C13H13N2O4S293.31891100
1293673

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)/p-1/b14-13-/t10-/m1/s1
C13H13N2O4S293.31891100
2868466

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H14N2O4S/c1-15-11(16)7-10(12(17)18)20-13(15)14-8-3-5-9(19-2)6-4-8/h3-6,10H,7H2,1-2H3,(H,17,18)/p-1/b14-13-
C13H13N2O4S293.318321100

Advertisement