bis[4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-6-oxidanylidene-pyridin-1-yl] 5-chloranylthiophene-2,4-disulfonate

Systemtic Name: bis[4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-6-oxidanylidene-pyridin-1-yl] 5-chloranylthiophene-2,4-disulfonate Openeye Name: bis[4-methyl-2-oxo-6-[(E)-2-(p-tolyl)vinyl]-1-pyridyl] 5-chlorothiophene-2,4-disulfonate CAS Name: 5-chlorothiophene-2,4-disulfonic acid bis[4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-6-oxo-1-pyridinyl] ester IUPAC Name: bis[4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-6-oxopyridin-1-yl] 5-chlorothiophene-2,4-disulfonate Traditional Name: 5-chlorothiophene-2,4-disulfonic acid bis[2-keto-4-methyl-6-[(E)-2-(p-tolyl)vinyl]-1-pyridyl] ester Formula: C34H29ClN2O8S3 MolecularWeight: 725.25066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC(=CC(=O)N2OS(=O)(=O)C3=CC(=C(S3)Cl)S(=O)(=O)ON4C(=CC(=CC4=O)C)C=CC5=CC=C(C=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC(=CC(=O)N2OS(=O)(=O)C3=CC(=C(S3)Cl)S(=O)(=O)ON4C(=CC(=CC4=O)C)/C=C/C5=CC=C(C=C5)C)C

InChI

InChI=1S/C34H29ClN2O8S3/c1-22-5-9-26(10-6-22)13-15-28-17-24(3)19-31(38)36(28)44-47(40,41)30-21-33(46-34(30)35)48(42,43)45-37-29(18-25(4)20-32(37)39)16-14-27-11-7-23(2)8-12-27/h5-21H,1-4H3/b15-13+,16-14+