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

Systemtic Name: 3-bis(2-methyl-5-sulfo-phenyl)phosphanyl-4-methyl-benzenesulfonic acid Openeye Name: 3-bis(2-methyl-5-sulfo-phenyl)phosphanyl-4-methyl-benzenesulfonic acid CAS Name: 3-bis(2-methyl-5-sulfophenyl)phosphino-4-methylbenzenesulfonic acid IUPAC Name: 3-bis(2-methyl-5-sulfophenyl)phosphanyl-4-methylbenzenesulfonic acid Traditional Name: 3-bis(2-methyl-5-sulfo-phenyl)phosphino-4-methyl-besylic acid Formula: C21H21O9PS3 MolecularWeight: 544.554801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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