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

Systemtic Name: [4-[(E)-3-[(2,3-dimethoxyphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-[(2,3-dimethoxyphenyl)methylamino]-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-[(2,3-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-[(2,3-dimethoxyphenyl)methylamino]-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-keto-3-(o-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=C(C(=CC=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=C(C(=CC=C3)OC)OC)OC

InChI

InChI=1S/C26H27NO7S/c1-18-8-12-21(13-9-18)35(29,30)34-22-14-10-19(16-24(22)32-3)11-15-25(28)27-17-20-6-5-7-23(31-2)26(20)33-4/h5-16H,17H2,1-4H3,(H,27,28)/b15-11+