phenylphosphanium; 5-sulfonatobenzene-1,3-dicarboxylate

Systemtic Name: phenylphosphanium; 5-sulfonatobenzene-1,3-dicarboxylate Openeye Name: phenylphosphonium; 5-sulfonatobenzene-1,3-dicarboxylate CAS Name: phenylphosphonium; 5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: phenylphosphanium; 5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: phenylphosphonium; 5-sulfonatoisophthalate Formula: C26H27O7P3S MolecularWeight: 576.474663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH3+].C1=CC=C(C=C1)[PH3+].C1=CC=C(C=C1)[PH3+].C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[PH3+].C1=CC=C(C=C1)[PH3+].C1=CC=C(C=C1)[PH3+].C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C8H6O7S.3C6H7P/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;3*7-6-4-2-1-3-5-6/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);3*1-5H,7H2