benzene; nickel(2+); (E)-1-oxidanyl-1,3,3-triphenyl-prop-1-ene-2-sulfonate; triphenylphosphanium

Systemtic Name: benzene; nickel(2+); (E)-1-oxidanyl-1,3,3-triphenyl-prop-1-ene-2-sulfonate; triphenylphosphanium Openeye Name: nickelous; benzene; (E)-1-hydroxy-1,3,3-triphenyl-prop-1-ene-2-sulfonate; triphenylphosphonium CAS Name: benzene; (E)-1-hydroxy-1,3,3-triphenyl-1-propene-2-sulfonate; nickel(2+); triphenylphosphonium IUPAC Name: benzene; (E)-1-hydroxy-1,3,3-triphenylprop-1-ene-2-sulfonate; nickel(2+); triphenylphosphanium Traditional Name: nickelous; benzene; (E)-1-hydroxy-1,3,3-triphenyl-prop-1-ene-2-sulfonate; triphenylphosphonium Formula: C45H37NiO4PS MolecularWeight: 763.505041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17O4S.C18H15P.C6H5.Ni/c22-20(18-14-8-3-9-15-18)21(26(23,24)25)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;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;/h1-15,22H,(H,23,24,25);1-15H;1-5H;/q-1;;-1;+2/b21-20+;;;