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

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(triphenyl)phosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(triphenyl)phosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(triphenyl)phosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(triphenyl)phosphanium Traditional Name: butyl(triphenyl)phosphonium; 3,5-dicarbomethoxybesylate Formula: C32H33O7PS MolecularWeight: 592.638981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24P.C10H10O7S/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h4-18H,2-3,19H2,1H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1