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

Systemtic Name: 3-bis(2-methoxy-5-sulfo-phenyl)phosphanyl-4-methoxy-benzenesulfonic acid Openeye Name: 3-bis(2-methoxy-5-sulfo-phenyl)phosphanyl-4-methoxy-benzenesulfonic acid CAS Name: 3-bis(2-methoxy-5-sulfophenyl)phosphino-4-methoxybenzenesulfonic acid IUPAC Name: 3-bis(2-methoxy-5-sulfophenyl)phosphanyl-4-methoxybenzenesulfonic acid Traditional Name: 3-bis(2-methoxy-5-sulfo-phenyl)phosphino-4-methoxy-besylic acid Formula: C21H21O12PS3 MolecularWeight: 592.553001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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