4-methoxy-5-sulfonato-benzene-1,3-dicarboxylate; tetraphenylphosphanium

Systemtic Name: 4-methoxy-5-sulfonato-benzene-1,3-dicarboxylate; tetraphenylphosphanium Openeye Name: 4-methoxy-5-sulfonato-benzene-1,3-dicarboxylate; tetraphenylphosphonium CAS Name: 4-methoxy-5-sulfonatobenzene-1,3-dicarboxylate; tetraphenylphosphonium IUPAC Name: 4-methoxy-5-sulfonatobenzene-1,3-dicarboxylate; tetraphenylphosphanium Traditional Name: 4-methoxy-5-sulfonato-isophthalate; tetraphenylphosphonium Formula: C81H65O8P3S MolecularWeight: 1291.364283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].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=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1S(=O)(=O)[O-])C(=O)[O-])C(=O)[O-].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=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/3C24H20P.C9H8O8S/c3*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;1-17-7-5(9(12)13)2-4(8(10)11)3-6(7)18(14,15)16/h3*1-20H;2-3H,1H3,(H,10,11)(H,12,13)(H,14,15,16)/q3*+1;/p-3