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

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (4-methoxycarbonylphenyl)-methyl-diphenyl-phosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (4-methoxycarbonylphenyl)-methyl-diphenyl-phosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (4-methoxycarbonylphenyl)-methyl-diphenylphosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (4-methoxycarbonylphenyl)-methyl-diphenylphosphanium Traditional Name: (4-carbomethoxyphenyl)-methyl-diphenyl-phosphonium; 3,5-dicarbomethoxybesylate Formula: C31H29O9PS MolecularWeight: 608.595321

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

InChI

InChI=1S/C21H20O2P.C10H10O7S/c1-23-21(22)17-13-15-20(16-14-17)24(2,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h3-16H,1-2H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1