[[4-[cyano-(3,4-dimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate

Systemtic Name: [[4-[cyano-(3,4-dimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Openeye Name: [[4-[cyano-(3,4-dimethylphenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate CAS Name: methanesulfonic acid [[4-[cyano-(3,4-dimethylphenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester IUPAC Name: [[4-[cyano-(3,4-dimethylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] methanesulfonate Traditional Name: methanesulfonic acid [[4-[cyano-(3,4-dimethylphenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C2C=CC(=NOS(=O)(=O)C)C=C2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=C2C=CC(=NOS(=O)(=O)C)C=C2)C#N)C

InChI

InChI=1S/C17H16N2O3S/c1-12-4-5-15(10-13(12)2)17(11-18)14-6-8-16(9-7-14)19-22-23(3,20)21/h4-10H,1-3H3