sodium; benzene; (Z)-1-diphenylphosphanyl-2-(4-methylphenyl)-2-oxidanidyl-ethenesulfonate; nickel(2+); triphenylphosphane

Systemtic Name: sodium; benzene; (Z)-1-diphenylphosphanyl-2-(4-methylphenyl)-2-oxidanidyl-ethenesulfonate; nickel(2+); triphenylphosphane Openeye Name: nickelous; sodium; benzene; (Z)-1-diphenylphosphanyl-2-oxido-2-(p-tolyl)ethenesulfonate; triphenylphosphane CAS Name: sodium; benzene; (Z)-1-diphenylphosphino-2-(4-methylphenyl)-2-oxidoethenesulfonate; nickel(2+); triphenylphosphine IUPAC Name: sodium; benzene; (Z)-1-diphenylphosphanyl-2-(4-methylphenyl)-2-oxidoethenesulfonate; nickel(2+); triphenylphosphane Traditional Name: nickelous; sodium; benzene; (Z)-1-diphenylphosphino-2-oxido-2-(p-tolyl)ethenesulfonate; triphenylphosphine Formula: C45H37NaNiO4P2S MolecularWeight: 817.468572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(P(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)[O-])[O-].C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Ni+2]

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C(\P(C2=CC=CC=C2)C3=CC=CC=C3)/S(=O)(=O)[O-])/[O-].C1=CC=[C-]C=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Na+].[Ni+2]

InChI

InChI=1S/C21H19O4PS.C18H15P.C6H5.Na.Ni/c1-16-12-14-17(15-13-16)20(22)21(27(23,24)25)26(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-5-3-1;;/h2-15,22H,1H3,(H,23,24,25);1-15H;1-5H;;/q;;-1;+1;+2/p-2/b21-20-;;;;