[3,5-dimethyl-4-[(3-methylsulfonyl-4-oxidanyl-phenyl)methyl]phenoxy]methyl-methyl-phosphinic acid

Systemtic Name: [3,5-dimethyl-4-[(3-methylsulfonyl-4-oxidanyl-phenyl)methyl]phenoxy]methyl-methyl-phosphinic acid Openeye Name: [4-[(4-hydroxy-3-methylsulfonyl-phenyl)methyl]-3,5-dimethyl-phenoxy]methyl-methyl-phosphinic acid CAS Name: [4-[(4-hydroxy-3-methylsulfonylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid IUPAC Name: [4-[(4-hydroxy-3-methylsulfonylphenyl)methyl]-3,5-dimethylphenoxy]methyl-methylphosphinic acid Traditional Name: [4-(4-hydroxy-3-mesyl-benzyl)-3,5-dimethyl-phenoxy]methyl-methyl-phosphinic acid Formula: C18H23O6PS MolecularWeight: 398.410381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)S(=O)(=O)C)C)OCP(=O)(C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)S(=O)(=O)C)C)OCP(=O)(C)O

InChI

InChI=1S/C18H23O6PS/c1-12-7-15(24-11-25(3,20)21)8-13(2)16(12)9-14-5-6-17(19)18(10-14)26(4,22)23/h5-8,10,19H,9,11H2,1-4H3,(H,20,21)