[3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfonylmethylphosphonic acid

Systemtic Name: [3,5-dimethyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfonylmethylphosphonic acid Openeye Name: [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]sulfonylmethylphosphonic acid CAS Name: [4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]sulfonylmethylphosphonic acid IUPAC Name: [4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]sulfonylmethylphosphonic acid Traditional Name: [4-(4-hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]sulfonylmethylphosphonic acid Formula: C18H23O7PS MolecularWeight: 414.409781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)S(=O)(=O)CP(=O)(O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(C)C)C)S(=O)(=O)CP(=O)(O)O

InChI

InChI=1S/C18H23O7PS/c1-11(2)16-9-14(5-6-17(16)19)25-18-12(3)7-15(8-13(18)4)27(23,24)10-26(20,21)22/h5-9,11,19H,10H2,1-4H3,(H2,20,21,22)