[2-[(E)-2-(3-chloranyl-4-methoxy-phenyl)ethenyl]-6-oxidanylidene-4-phenyl-pyridin-1-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2-[(E)-2-(3-chloranyl-4-methoxy-phenyl)ethenyl]-6-oxidanylidene-4-phenyl-pyridin-1-yl] 4-nitrobenzenesulfonate Openeye Name: [2-[(E)-2-(3-chloro-4-methoxy-phenyl)vinyl]-6-oxo-4-phenyl-1-pyridyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-[(E)-2-(3-chloro-4-methoxyphenyl)ethenyl]-6-oxo-4-phenyl-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(3-chloro-4-methoxyphenyl)ethenyl]-6-oxo-4-phenylpyridin-1-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-[(E)-2-(3-chloro-4-methoxy-phenyl)vinyl]-6-keto-4-phenyl-1-pyridyl] ester Formula: C26H19ClN2O7S MolecularWeight: 538.95626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=CC(=CC(=O)N2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=O)N2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H19ClN2O7S/c1-35-25-14-8-18(15-24(25)27)7-9-22-16-20(19-5-3-2-4-6-19)17-26(30)28(22)36-37(33,34)23-12-10-21(11-13-23)29(31)32/h2-17H,1H3/b9-7+