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

Systemtic Name: 4-bis(2-methyl-4-sulfo-phenyl)phosphanyl-3-methyl-benzenesulfonic acid Openeye Name: 4-bis(2-methyl-4-sulfo-phenyl)phosphanyl-3-methyl-benzenesulfonic acid CAS Name: 4-bis(2-methyl-4-sulfophenyl)phosphino-3-methylbenzenesulfonic acid IUPAC Name: 4-bis(2-methyl-4-sulfophenyl)phosphanyl-3-methylbenzenesulfonic acid Traditional Name: 4-bis(2-methyl-4-sulfo-phenyl)phosphino-3-methyl-besylic acid Formula: C21H21O9PS3 MolecularWeight: 544.554801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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