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

Systemtic Name: bis[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] naphthalene-1,5-disulfonate Openeye Name: bis[2-[(E)-2-(4-fluorophenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] naphthalene-1,5-disulfonate CAS Name: naphthalene-1,5-disulfonic acid bis[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: bis[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] naphthalene-1,5-disulfonate Traditional Name: naphthalene-1,5-disulfonic acid bis[2-[(E)-2-(4-fluorophenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C38H28F2N2O8S2 MolecularWeight: 742.764326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=C(C=C2)F)OS(=O)(=O)C3=CC=CC4=C3C=CC=C4S(=O)(=O)ON5C(=CC(=CC5=O)C)C=CC6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=C(C=C2)F)OS(=O)(=O)C3=CC=CC4=C3C=CC=C4S(=O)(=O)ON5C(=O)C=C(C=C5/C=C/C6=CC=C(C=C6)F)C

InChI

InChI=1S/C38H28F2N2O8S2/c1-25-21-31(19-13-27-9-15-29(39)16-10-27)41(37(43)23-25)49-51(45,46)35-7-3-6-34-33(35)5-4-8-36(34)52(47,48)50-42-32(22-26(2)24-38(42)44)20-14-28-11-17-30(40)18-12-28/h3-24H,1-2H3/b19-13+,20-14+