[[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] 4-dodecylbenzenesulfonate

Systemtic Name: [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] 4-dodecylbenzenesulfonate Openeye Name: [[4-[cyano(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [[4-[cyano(phenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [[4-[cyano(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] ester Formula: C32H38N2O3S MolecularWeight: 530.72072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=C(C#N)C3=CC=CC=C3)C=C2

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=C(C#N)C3=CC=CC=C3)C=C2

InChI

InChI=1S/C32H38N2O3S/c1-2-3-4-5-6-7-8-9-10-12-15-27-18-24-31(25-19-27)38(35,36)37-34-30-22-20-29(21-23-30)32(26-33)28-16-13-11-14-17-28/h11,13-14,16-25H,2-10,12,15H2,1H3