3,5-dicarboxy-2-methoxy-benzenesulfonate; tributyl-(phenylmethyl)phosphanium

Systemtic Name: 3,5-dicarboxy-2-methoxy-benzenesulfonate; tributyl-(phenylmethyl)phosphanium Openeye Name: benzyl(tributyl)phosphonium; 3,5-dicarboxy-2-methoxy-benzenesulfonate CAS Name: 3,5-dicarboxy-2-methoxybenzenesulfonate; tributyl-(phenylmethyl)phosphonium IUPAC Name: benzyl(tributyl)phosphanium; 3,5-dicarboxy-2-methoxybenzenesulfonate Traditional Name: benzyl(tributyl)phosphonium; 3,5-dicarboxy-2-methoxy-besylate Formula: C28H41O8PS MolecularWeight: 568.659101

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC1=CC=CC=C1.COC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CC1=CC=CC=C1.COC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C19H34P.C9H8O8S/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;1-17-7-5(9(12)13)2-4(8(10)11)3-6(7)18(14,15)16/h10-14H,4-9,15-18H2,1-3H3;2-3H,1H3,(H,10,11)(H,12,13)(H,14,15,16)/q+1;/p-1