benzene-1,3-dicarboxylic acid; triphenyl(2-sulfoethyl)phosphanium

Systemtic Name: benzene-1,3-dicarboxylic acid; triphenyl(2-sulfoethyl)phosphanium Openeye Name: isophthalic acid; triphenyl(2-sulfoethyl)phosphonium CAS Name: benzene-1,3-dicarboxylic acid; triphenyl(2-sulfoethyl)phosphonium IUPAC Name: benzene-1,3-dicarboxylic acid; triphenyl(2-sulfoethyl)phosphanium Traditional Name: isophthalic acid; triphenyl(2-sulfoethyl)phosphonium Formula: C28H26O7PS+ MolecularWeight: 537.540601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19O3PS.C8H6O4/c21-25(22,23)17-16-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-15H,16-17H2;1-4H,(H,9,10)(H,11,12)/p+1