5-sulfonatobenzene-1,3-dicarboxylate; triphenyl-(phenylmethyl)phosphanium

Systemtic Name: 5-sulfonatobenzene-1,3-dicarboxylate; triphenyl-(phenylmethyl)phosphanium Openeye Name: benzyl(triphenyl)phosphonium; 5-sulfonatobenzene-1,3-dicarboxylate CAS Name: 5-sulfonatobenzene-1,3-dicarboxylate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(triphenyl)phosphanium; 5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: benzyl(triphenyl)phosphonium; 5-sulfonatoisophthalate Formula: C83H69O7P3S MolecularWeight: 1303.418043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/3C25H22P.C8H6O7S/c3*1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3*1-20H,21H2;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q3*+1;/p-3