2-bis(5-methoxy-2-sulfo-phenyl)phosphanyl-4-methoxy-benzenesulfonic acid

Systemtic Name: 2-bis(5-methoxy-2-sulfo-phenyl)phosphanyl-4-methoxy-benzenesulfonic acid Openeye Name: 2-bis(5-methoxy-2-sulfo-phenyl)phosphanyl-4-methoxy-benzenesulfonic acid CAS Name: 2-bis(5-methoxy-2-sulfophenyl)phosphino-4-methoxybenzenesulfonic acid IUPAC Name: 2-bis(5-methoxy-2-sulfophenyl)phosphanyl-4-methoxybenzenesulfonic acid Traditional Name: 2-bis(5-methoxy-2-sulfo-phenyl)phosphino-4-methoxy-besylic acid Formula: C21H21O12PS3 MolecularWeight: 592.553001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21O12PS3/c1-31-13-4-7-19(35(22,23)24)16(10-13)34(17-11-14(32-2)5-8-20(17)36(25,26)27)18-12-15(33-3)6-9-21(18)37(28,29)30/h4-12H,1-3H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)