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

Systemtic Name: ethyl(triphenyl)phosphanium; 5-sulfonatobenzene-1,3-dicarboxylate Openeye Name: ethyl(triphenyl)phosphonium; 5-sulfonatobenzene-1,3-dicarboxylate CAS Name: ethyl(triphenyl)phosphonium; 5-sulfonatobenzene-1,3-dicarboxylate IUPAC Name: ethyl(triphenyl)phosphanium; 5-sulfonatobenzene-1,3-dicarboxylate Traditional Name: ethyl(triphenyl)phosphonium; 5-sulfonatoisophthalate Formula: C68H63O7P3S MolecularWeight: 1117.209903

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Descriptors Computed from Structure

Canonical SMILES:

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC[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

CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CC[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/3C20H20P.C8H6O7S/c3*1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3*3-17H,2H2,1H3;1-3H,(H,9,10)(H,11,12)(H,13,14,15)/q3*+1;/p-3