[(E)-[(5E)-5-[cyano(phenyl)methylidene]thiophen-2-ylidene]amino] octane-4-sulfonate

Systemtic Name: [(E)-[(5E)-5-[cyano(phenyl)methylidene]thiophen-2-ylidene]amino] octane-4-sulfonate Openeye Name: [(E)-[(5E)-5-[cyano(phenyl)methylene]-2-thienylidene]amino] octane-4-sulfonate CAS Name: 4-octanesulfonic acid IUPAC Name: [(E)-[(5E)-5-[cyano(phenyl)methylidene]thiophen-2-ylidene]amino] octane-4-sulfonate Traditional Name: octane-4-sulfonic acid [(E)-[(5E)-5-[cyano(phenyl)methylene]-2-thienylidene]amino] ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)S(=O)(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2)S1

Isomeric SMILES

CCCCC(CCC)S(=O)(=O)O/N=C/1\C=C/C(=C(\C#N)/C2=CC=CC=C2)/S1

InChI

InChI=1S/C20H24N2O3S2/c1-3-5-12-17(9-4-2)27(23,24)25-22-20-14-13-19(26-20)18(15-21)16-10-7-6-8-11-16/h6-8,10-11,13-14,17H,3-5,9,12H2,1-2H3/b19-18-,22-20+