4-(4-carboxyphenyl)sulfinylbenzoate; triphenyl-(phenylmethyl)phosphanium

Systemtic Name: 4-(4-carboxyphenyl)sulfinylbenzoate; triphenyl-(phenylmethyl)phosphanium Openeye Name: benzyl(triphenyl)phosphonium; 4-(4-carboxyphenyl)sulfinylbenzoate CAS Name: 4-(4-carboxyphenyl)sulfinylbenzoate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(triphenyl)phosphanium; 4-(4-carboxyphenyl)sulfinylbenzoate Traditional Name: benzyl(triphenyl)phosphonium; 4-(4-carboxyphenyl)sulfinylbenzoate Formula: C39H31O5PS MolecularWeight: 642.699201

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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(=CC=C1C(=O)O)S(=O)C2=CC=C(C=C2)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(=CC=C1C(=O)O)S(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C25H22P.C14H10O5S/c1-5-13-22(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;15-13(16)9-1-5-11(6-2-9)20(19)12-7-3-10(4-8-12)14(17)18/h1-20H,21H2;1-8H,(H,15,16)(H,17,18)/q+1;/p-1