[4-[(E)-3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-[(2,6-dimethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(2,6-dimethylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2,6-dimethylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(2,6-dimethylanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3=C(C=CC=C3C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=C(C=CC=C3C)C)OC

InChI

InChI=1S/C25H25NO5S/c1-17-8-12-21(13-9-17)32(28,29)31-22-14-10-20(16-23(22)30-4)11-15-24(27)26-25-18(2)6-5-7-19(25)3/h5-16H,1-4H3,(H,26,27)/b15-11+