[4-butyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-oxidanylidene-pyridin-1-yl] 4-methoxybenzenesulfonate

Systemtic Name: [4-butyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-oxidanylidene-pyridin-1-yl] 4-methoxybenzenesulfonate Openeye Name: [4-butyl-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6-oxo-1-pyridyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [4-butyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-oxo-1-pyridinyl] ester IUPAC Name: [4-butyl-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-oxopyridin-1-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [4-butyl-2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-6-keto-1-pyridyl] ester Formula: C26H29NO7S MolecularWeight: 499.57596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N(C(=C1)C=CC2=CC(=C(C=C2)OC)OC)OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=CC(=O)N(C(=C1)/C=C/C2=CC(=C(C=C2)OC)OC)OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H29NO7S/c1-5-6-7-20-16-21(10-8-19-9-15-24(32-3)25(17-19)33-4)27(26(28)18-20)34-35(29,30)23-13-11-22(31-2)12-14-23/h8-18H,5-7H2,1-4H3/b10-8+