[3,5-dimethyl-4-[(4-oxidanyl-3-propan-2-ylsulfonyl-phenyl)methyl]phenoxy]methylphosphonic acid

Systemtic Name: [3,5-dimethyl-4-[(4-oxidanyl-3-propan-2-ylsulfonyl-phenyl)methyl]phenoxy]methylphosphonic acid Openeye Name: [4-[(4-hydroxy-3-isopropylsulfonyl-phenyl)methyl]-3,5-dimethyl-phenoxy]methylphosphonic acid CAS Name: [4-[(4-hydroxy-3-propan-2-ylsulfonylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid IUPAC Name: [4-[(4-hydroxy-3-propan-2-ylsulfonylphenyl)methyl]-3,5-dimethylphenoxy]methylphosphonic acid Traditional Name: [4-(4-hydroxy-3-isopropylsulfonyl-benzyl)-3,5-dimethyl-phenoxy]methylphosphonic acid Formula: C19H25O7PS MolecularWeight: 428.436361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25O7PS/c1-12(2)28(24,25)19-10-15(5-6-18(19)20)9-17-13(3)7-16(8-14(17)4)26-11-27(21,22)23/h5-8,10,12,20H,9,11H2,1-4H3,(H2,21,22,23)