[(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 4-dodecylbenzenesulfonate

Systemtic Name: [(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 4-dodecylbenzenesulfonate Openeye Name: [(E)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] ester IUPAC Name: [(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [(E)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] ester Formula: C28H38N2O5S MolecularWeight: 514.67672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C28H38N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-23-15-18-25(19-16-23)36(31,32)35-30-26(22-29)24-17-20-27(33-2)28(21-24)34-3/h15-21H,4-14H2,1-3H3/b30-26-