[(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] propane-1-sulfonate

Systemtic Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] propane-1-sulfonate Openeye Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(Z)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-4-7-21(16,17)20-15-11(9-14)10-5-6-12(18-2)13(8-10)19-3/h5-6,8H,4,7H2,1-3H3/b15-11+