5-sulfonatobenzene-1,3-dicarboxylate; tributylphosphanium

Systemtic Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributylphosphanium Openeye Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributylphosphonium CAS Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributylphosphonium IUPAC Name: 5-sulfonatobenzene-1,3-dicarboxylate; tributylphosphanium Traditional Name: 5-sulfonatoisophthalate; tributylphosphonium Formula: C44H87O7P3S MolecularWeight: 853.143663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C12H27P.C8H6O7S/c3*1-4-7-10-13(11-8-5-2)12-9-6-3;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3*4-12H2,1-3H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)