benzene-1,3-dicarboxylic acid; triphenyl(4-sulfobutyl)phosphanium

Systemtic Name: benzene-1,3-dicarboxylic acid; triphenyl(4-sulfobutyl)phosphanium Openeye Name: isophthalic acid; triphenyl(4-sulfobutyl)phosphonium CAS Name: benzene-1,3-dicarboxylic acid; triphenyl(4-sulfobutyl)phosphonium IUPAC Name: benzene-1,3-dicarboxylic acid; triphenyl(4-sulfobutyl)phosphanium Traditional Name: isophthalic acid; triphenyl(4-sulfobutyl)phosphonium Formula: C30H30O7PS+ MolecularWeight: 565.593761

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H23O3PS.C8H6O4/c23-27(24,25)19-11-10-18-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-9,12-17H,10-11,18-19H2;1-4H,(H,9,10)(H,11,12)/p+1