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

Systemtic Name: [[4-[cyano-(2-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Openeye Name: [[4-[cyano(o-tolyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate CAS Name: methanesulfonic acid [[4-[cyano-(2-methylphenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-[cyano-(2-methylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Traditional Name: methanesulfonic acid [[4-[cyano(o-tolyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] ester Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C2C=CC(=NOS(=O)(=O)C)C=C2)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=C2C=CC(=NOS(=O)(=O)C)C=C2)C#N

InChI

InChI=1S/C16H14N2O3S/c1-12-5-3-4-6-15(12)16(11-17)13-7-9-14(10-8-13)18-21-22(2,19)20/h3-10H,1-2H3