3,5-dicarboxybenzenesulfonate; tributyl(methyl)phosphanium

Systemtic Name: 3,5-dicarboxybenzenesulfonate; tributyl(methyl)phosphanium Openeye Name: 3,5-dicarboxybenzenesulfonate; tributyl(methyl)phosphonium CAS Name: 3,5-dicarboxybenzenesulfonate; tributyl(methyl)phosphonium IUPAC Name: 3,5-dicarboxybenzenesulfonate; tributyl(methyl)phosphanium Traditional Name: 3,5-dicarboxybesylate; tributyl(methyl)phosphonium Formula: C21H35O7PS MolecularWeight: 462.537161

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](C)(CCCC)CCCC.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

Isomeric SMILES

CCCC[P+](C)(CCCC)CCCC.C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O

InChI

InChI=1S/C13H30P.C8H6O7S/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h5-13H2,1-4H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q+1;/p-1