bis[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] benzene-1,3-disulfonate

Systemtic Name: bis[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] benzene-1,3-disulfonate Openeye Name: bis[2-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] benzene-1,3-disulfonate CAS Name: benzene-1,3-disulfonic acid bis[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: bis[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] benzene-1,3-disulfonate Traditional Name: benzene-1,3-disulfonic acid bis[2-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-1-pyridyl] ester Formula: C36H32N2O10S2 MolecularWeight: 716.77668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)ON4C(=CC(=CC4=O)C)C=CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)ON4C(=CC(=CC4=O)C)/C=C/C5=CC=C(C=C5)OC

InChI

InChI=1S/C36H32N2O10S2/c1-25-20-29(14-8-27-10-16-31(45-3)17-11-27)37(35(39)22-25)47-49(41,42)33-6-5-7-34(24-33)50(43,44)48-38-30(21-26(2)23-36(38)40)15-9-28-12-18-32(46-4)19-13-28/h5-24H,1-4H3/b14-8+,15-9+