[(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] octane-1-sulfonate

Systemtic Name: [(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] octane-1-sulfonate Openeye Name: [(Z)-[cyano-(4-methoxyphenyl)methylene]amino] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [(Z)-[cyano-(4-methoxyphenyl)methylidene]amino] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [(Z)-[cyano-(4-methoxyphenyl)methylene]amino] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)ON=C(C#N)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)O/N=C(\C#N)/C1=CC=C(C=C1)OC

InChI

InChI=1S/C17H24N2O4S/c1-3-4-5-6-7-8-13-24(20,21)23-19-17(14-18)15-9-11-16(22-2)12-10-15/h9-12H,3-8,13H2,1-2H3/b19-17+