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

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(trioctyl)phosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(trioctyl)phosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(trioctyl)phosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; butyl(trioctyl)phosphanium Traditional Name: butyl(trioctyl)phosphonium; 3,5-dicarbomethoxybesylate Formula: C38H69O7PS MolecularWeight: 700.989021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H60P.C10H10O7S/c1-5-9-13-16-19-22-26-29(25-12-8-4,27-23-20-17-14-10-6-2)28-24-21-18-15-11-7-3;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h5-28H2,1-4H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1