2-(2-carboxylatophenyl)sulfanylbenzoate; triphenyl-(phenylmethyl)phosphanium

Systemtic Name: 2-(2-carboxylatophenyl)sulfanylbenzoate; triphenyl-(phenylmethyl)phosphanium Openeye Name: benzyl(triphenyl)phosphonium; 2-(2-carboxylatophenyl)sulfanylbenzoate CAS Name: 2-[(2-carboxylatophenyl)thio]benzoate; triphenyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(triphenyl)phosphanium; 2-(2-carboxylatophenyl)sulfanylbenzoate Traditional Name: benzyl(triphenyl)phosphonium; 2-[(2-carboxylatophenyl)thio]benzoate Formula: C78H60O8P2S2-2 MolecularWeight: 1251.383722

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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(=O)[O-])SC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=CC=C2C(=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(=O)[O-])SC2=CC=CC=C2C(=O)[O-].C1=CC=C(C(=C1)C(=O)[O-])SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/2C25H22P.2C14H10O4S/c2*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;2*15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h2*1-20H,21H2;2*1-8H,(H,15,16)(H,17,18)/q2*+1;;/p-4