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

Systemtic Name: [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] 4-methylbenzenesulfonate Openeye Name: [[4-[cyano-(4-methoxyphenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[4-[cyano-(4-methoxyphenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-[cyano-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[4-[cyano-(4-methoxyphenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=C(C#N)C3=CC=C(C=C3)OC)C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON=C2C=CC(=C(C#N)C3=CC=C(C=C3)OC)C=C2

InChI

InChI=1S/C22H18N2O4S/c1-16-3-13-21(14-4-16)29(25,26)28-24-19-9-5-17(6-10-19)22(15-23)18-7-11-20(27-2)12-8-18/h3-14H,1-2H3