3,5-bis(methoxycarbonyl)benzenesulfonate; bis(4-methoxycarbonylphenyl)-methyl-phenyl-phosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; bis(4-methoxycarbonylphenyl)-methyl-phenyl-phosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; bis(4-methoxycarbonylphenyl)-methyl-phenyl-phosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; bis(4-methoxycarbonylphenyl)-methyl-phenylphosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; bis(4-methoxycarbonylphenyl)-methyl-phenylphosphanium Traditional Name: bis(4-carbomethoxyphenyl)-methyl-phenyl-phosphonium; 3,5-dicarbomethoxybesylate Formula: C33H31O11PS MolecularWeight: 666.631401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22O4P.C10H10O7S/c1-26-22(24)17-9-13-20(14-10-17)28(3,19-7-5-4-6-8-19)21-15-11-18(12-16-21)23(25)27-2;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h4-16H,1-3H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1