benzene-1,3-dicarboxylate; tetraphenylphosphanium

Systemtic Name: benzene-1,3-dicarboxylate; tetraphenylphosphanium Openeye Name: benzene-1,3-dicarboxylate; tetraphenylphosphonium CAS Name: benzene-1,3-dicarboxylate; tetraphenylphosphonium IUPAC Name: benzene-1,3-dicarboxylate; tetraphenylphosphanium Traditional Name: isophthalate; tetraphenylphosphonium Formula: C56H44O4P2 MolecularWeight: 842.893682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C24H20P.C8H6O4/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*1-20H;1-4H,(H,9,10)(H,11,12)/q2*+1;/p-2