4-methoxy-3-[3-[(2-methoxy-5-sulfonato-phenyl)-(2-methoxy-5-sulfo-phenyl)phosphaniumyl]propyl-(2-methoxy-5-sulfo-phenyl)phosphaniumyl]benzenesulfonate

Systemtic Name: 4-methoxy-3-[3-[(2-methoxy-5-sulfonato-phenyl)-(2-methoxy-5-sulfo-phenyl)phosphaniumyl]propyl-(2-methoxy-5-sulfo-phenyl)phosphaniumyl]benzenesulfonate Openeye Name: 4-methoxy-3-[3-[(2-methoxy-5-sulfonato-phenyl)-(2-methoxy-5-sulfo-phenyl)phosphaniumyl]propyl-(2-methoxy-5-sulfo-phenyl)phosphaniumyl]benzenesulfonate CAS Name: 4-methoxy-3-[3-[(2-methoxy-5-sulfonatophenyl)-(2-methoxy-5-sulfophenyl)phosphiniumyl]propyl-(2-methoxy-5-sulfophenyl)phosphiniumyl]benzenesulfonate IUPAC Name: 4-methoxy-3-[3-[(2-methoxy-5-sulfonatophenyl)-(2-methoxy-5-sulfophenyl)phosphaniumyl]propyl-(2-methoxy-5-sulfophenyl)phosphaniumyl]benzenesulfonate Traditional Name: 4-methoxy-3-[3-[(2-methoxy-5-sulfonato-phenyl)-(2-methoxy-5-sulfo-phenyl)phosphiniumyl]propyl-(2-methoxy-5-sulfo-phenyl)phosphiniumyl]besylate Formula: C31H34O16P2S4 MolecularWeight: 852.799582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)O)[PH+](CCC[PH+](C2=C(C=CC(=C2)S(=O)(=O)O)OC)C3=C(C=CC(=C3)S(=O)(=O)[O-])OC)C4=C(C=CC(=C4)S(=O)(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)O)[PH+](CCC[PH+](C2=C(C=CC(=C2)S(=O)(=O)O)OC)C3=C(C=CC(=C3)S(=O)(=O)[O-])OC)C4=C(C=CC(=C4)S(=O)(=O)[O-])OC

InChI

InChI=1S/C31H34O16P2S4/c1-44-24-10-6-20(50(32,33)34)16-28(24)48(29-17-21(51(35,36)37)7-11-25(29)45-2)14-5-15-49(30-18-22(52(38,39)40)8-12-26(30)46-3)31-19-23(53(41,42)43)9-13-27(31)47-4/h6-13,16-19H,5,14-15H2,1-4H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)