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

Systemtic Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] octane-1-sulfonate Openeye Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] octane-1-sulfonate CAS Name: 1-octanesulfonic acid IUPAC Name: [(Z)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] octane-1-sulfonate Traditional Name: octane-1-sulfonic acid [(Z)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-4-5-6-7-8-9-12-26(21,22)25-20-16(14-19)15-10-11-17(23-2)18(13-15)24-3/h10-11,13H,4-9,12H2,1-3H3/b20-16+