[(E)-[2-(cyanomethyl)-5-methyl-cyclohexa-2,4-dien-1-ylidene]amino] propane-1-sulfonate

Systemtic Name: [(E)-[2-(cyanomethyl)-5-methyl-cyclohexa-2,4-dien-1-ylidene]amino] propane-1-sulfonate Openeye Name: [(E)-[2-(cyanomethyl)-5-methyl-cyclohexa-2,4-dien-1-ylidene]amino] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(E)-[2-(cyanomethyl)-5-methylcyclohexa-2,4-dien-1-ylidene]amino] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(E)-[2-(cyanomethyl)-5-methyl-cyclohexa-2,4-dien-1-ylidene]amino] ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON=C1CC(=CC=C1CC#N)C

Isomeric SMILES

CCCS(=O)(=O)O/N=C/1\CC(=CC=C1CC#N)C

InChI

InChI=1S/C12H16N2O3S/c1-3-8-18(15,16)17-14-12-9-10(2)4-5-11(12)6-7-13/h4-5H,3,6,8-9H2,1-2H3/b14-12+