3,5-bis(methoxycarbonyl)benzenesulfonate; tris(phenylmethyl)phosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tris(phenylmethyl)phosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tribenzylphosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tris(phenylmethyl)phosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tribenzylphosphanium Traditional Name: 3,5-dicarbomethoxybesylate; tribenzylphosphonium Formula: C31H31O7PS MolecularWeight: 578.612401

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.C1=CC=C(C=C1)C[PH+](CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.C1=CC=C(C=C1)C[PH+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21P.C10H10O7S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h1-15H,16-18H2;3-5H,1-2H3,(H,13,14,15)