3,5-bis(methoxycarbonyl)benzenesulfonate; trioctylphosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; trioctylphosphanium Openeye Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; trioctylphosphonium CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; trioctylphosphonium IUPAC Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; trioctylphosphanium Traditional Name: 3,5-dicarbomethoxybesylate; trioctylphosphonium Formula: C34H61O7PS MolecularWeight: 644.882701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H51P.C10H10O7S/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h4-24H2,1-3H3;3-5H,1-2H3,(H,13,14,15)