5-sulfonatobenzene-1,3-dicarboxylate; tributyl(ethyl)phosphanium

Systemtic Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributyl(ethyl)phosphanium Openeye Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributyl(ethyl)phosphonium CAS Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributyl(ethyl)phosphonium IUPAC Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributyl(ethyl)phosphanium Traditional Name: 5-sulfonatoisophthalate; tributyl(ethyl)phosphonium Formula: C50H99O7P3S MolecularWeight: 937.303143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C14H32P.C8H6O7S/c3*1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3*5-14H2,1-4H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q3*+1;/p-3