2-methoxy-5-[(4-methoxyphenyl)-(4-methoxy-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid

Systemtic Name: 2-methoxy-5-[(4-methoxyphenyl)-(4-methoxy-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid Openeye Name: 2-methoxy-5-[(4-methoxyphenyl)-(4-methoxy-3-sulfo-phenyl)phosphanyl]benzenesulfonic acid CAS Name: 2-methoxy-5-[(4-methoxyphenyl)-(4-methoxy-3-sulfophenyl)phosphino]benzenesulfonic acid IUPAC Name: 2-methoxy-5-[(4-methoxyphenyl)-(4-methoxy-3-sulfophenyl)phosphanyl]benzenesulfonic acid Traditional Name: 2-methoxy-5-[(4-methoxyphenyl)-(4-methoxy-3-sulfo-phenyl)phosphino]besylic acid Formula: C21H21O9PS2 MolecularWeight: 512.489801

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)P(C2=CC(=C(C=C2)OC)S(=O)(=O)O)C3=CC(=C(C=C3)OC)S(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)P(C2=CC(=C(C=C2)OC)S(=O)(=O)O)C3=CC(=C(C=C3)OC)S(=O)(=O)O

InChI

InChI=1S/C21H21O9PS2/c1-28-14-4-6-15(7-5-14)31(16-8-10-18(29-2)20(12-16)32(22,23)24)17-9-11-19(30-3)21(13-17)33(25,26)27/h4-13H,1-3H3,(H,22,23,24)(H,25,26,27)