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

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (3-methoxycarbonylphenyl)methyl-triphenyl-phosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (3-methoxycarbonylphenyl)methyl-triphenyl-phosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (3-methoxycarbonylphenyl)methyl-triphenylphosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; (3-methoxycarbonylphenyl)methyl-triphenylphosphanium Traditional Name: (3-carbomethoxybenzyl)-triphenyl-phosphonium; 3,5-dicarbomethoxybesylate Formula: C37H33O9PS MolecularWeight: 684.691281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

InChI

InChI=1S/C27H24O2P.C10H10O7S/c1-29-27(28)23-13-11-12-22(20-23)21-30(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h2-20H,21H2,1H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1