[2-[(E)-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-[(E)-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-chloranylbenzenesulfonate Openeye Name: [2-[(E)-2-(4-benzyloxy-3-methoxy-phenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-[(E)-2-(4-benzoxy-3-methoxy-phenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C28H24ClNO6S MolecularWeight: 538.01126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H24ClNO6S/c1-20-16-24(30(28(31)17-20)36-37(32,33)25-13-10-23(29)11-14-25)12-8-21-9-15-26(27(18-21)34-2)35-19-22-6-4-3-5-7-22/h3-18H,19H2,1-2H3/b12-8+