[(E)-[(5E)-5-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] hexadecane-1-sulfonate

Systemtic Name: [(E)-[(5E)-5-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] hexadecane-1-sulfonate Openeye Name: [(E)-[(5E)-5-[cyano(o-tolyl)methylene]-2-thienylidene]amino] hexadecane-1-sulfonate CAS Name: 1-hexadecanesulfonic acid IUPAC Name: [(E)-[(5E)-5-[cyano-(2-methylphenyl)methylidene]thiophen-2-ylidene]amino] hexadecane-1-sulfonate Traditional Name: hexadecane-1-sulfonic acid [(E)-[(5E)-5-[cyano(o-tolyl)methylene]-2-thienylidene]amino] ester Formula: C29H42N2O3S2 MolecularWeight: 530.78538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2C)S1

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)O/N=C/1\C=C/C(=C(\C#N)/C2=CC=CC=C2C)/S1

InChI

InChI=1S/C29H42N2O3S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-36(32,33)34-31-29-22-21-28(35-29)27(24-30)26-20-17-16-19-25(26)2/h16-17,19-22H,3-15,18,23H2,1-2H3/b28-27-,31-29+