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

Systemtic Name: 2-bis(4-methyl-2-sulfo-phenyl)phosphanyl-5-methyl-benzenesulfonic acid Openeye Name: 2-bis(4-methyl-2-sulfo-phenyl)phosphanyl-5-methyl-benzenesulfonic acid CAS Name: 2-bis(4-methyl-2-sulfophenyl)phosphino-5-methylbenzenesulfonic acid IUPAC Name: 2-bis(4-methyl-2-sulfophenyl)phosphanyl-5-methylbenzenesulfonic acid Traditional Name: 2-bis(4-methyl-2-sulfo-phenyl)phosphino-5-methyl-besylic acid Formula: C21H21O9PS3 MolecularWeight: 544.554801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)P(C2=C(C=C(C=C2)C)S(=O)(=O)O)C3=C(C=C(C=C3)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)P(C2=C(C=C(C=C2)C)S(=O)(=O)O)C3=C(C=C(C=C3)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H21O9PS3/c1-13-4-7-16(19(10-13)32(22,23)24)31(17-8-5-14(2)11-20(17)33(25,26)27)18-9-6-15(3)12-21(18)34(28,29)30/h4-12H,1-3H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)