3,5-bis(methoxycarbonyl)benzenesulfonate; tributyl-(phenylmethyl)phosphanium

Systemtic Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tributyl-(phenylmethyl)phosphanium Openeye Name: benzyl(tributyl)phosphonium; 3,5-bis(methoxycarbonyl)benzenesulfonate CAS Name: 3,5-bis(methoxycarbonyl)benzenesulfonate; tributyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(tributyl)phosphanium; 3,5-bis(methoxycarbonyl)benzenesulfonate Traditional Name: benzyl(tributyl)phosphonium; 3,5-dicarbomethoxybesylate Formula: C29H43O7PS MolecularWeight: 566.686281

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC1=CC=CC=C1.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CC1=CC=CC=C1.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC

InChI

InChI=1S/C19H34P.C10H10O7S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15/h10-14H,4-9,15-18H2,1-3H3;3-5H,1-2H3,(H,13,14,15)/q+1;/p-1