[4-[(E)-3-[(3,4-dimethoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-[(3,4-dimethoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-[(3,4-dimethoxyphenyl)methylamino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-[(3,4-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-[(3,4-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(veratrylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C26H27NO7S MolecularWeight: 497.56008

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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)NCC3=CC(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NCC3=CC(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C26H27NO7S/c1-18-5-10-21(11-6-18)35(29,30)34-23-13-7-19(15-25(23)33-4)9-14-26(28)27-17-20-8-12-22(31-2)24(16-20)32-3/h5-16H,17H2,1-4H3,(H,27,28)/b14-9+