butyl(triphenyl)phosphanium; 5-sulfonatobenzene-1,3-dicarboxylate

Systemtic Name: butyl(triphenyl)phosphanium; 5-sulfonatobenzene-1,3-dicarboxylate Openeye Name: butyl(triphenyl)phosphonium; 5-sulfonatobenzene-1,3-dicarboxylate CAS Name: butyl(triphenyl)phosphonium; 5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: butyl(triphenyl)phosphanium; 5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: butyl(triphenyl)phosphonium; 5-sulfonatoisophthalate Formula: C74H75O7P3S MolecularWeight: 1201.369383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C=C1C(=O)[O-])S(=O)(=O)[O-])C(=O)[O-]

InChI

InChI=1S/3C22H24P.C8H6O7S/c3*1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3*4-18H,2-3,19H2,1H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q3*+1;/p-3