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

Systemtic Name: [3,5-dimethyl-4-[(3-methylsulfanyl-4-oxidanyl-phenyl)methyl]phenyl]methyl-methyl-phosphinic acid Openeye Name: [4-[(4-hydroxy-3-methylsulfanyl-phenyl)methyl]-3,5-dimethyl-phenyl]methyl-methyl-phosphinic acid CAS Name: [4-[[4-hydroxy-3-(methylthio)phenyl]methyl]-3,5-dimethylphenyl]methyl-methylphosphinic acid IUPAC Name: [4-[(4-hydroxy-3-methylsulfanylphenyl)methyl]-3,5-dimethylphenyl]methyl-methylphosphinic acid Traditional Name: [4-[4-hydroxy-3-(methylthio)benzyl]-3,5-dimethyl-benzyl]-methyl-phosphinic acid Formula: C18H23O3PS MolecularWeight: 350.412181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)SC)C)CP(=O)(C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)SC)C)CP(=O)(C)O

InChI

InChI=1S/C18H23O3PS/c1-12-7-15(11-22(3,20)21)8-13(2)16(12)9-14-5-6-17(19)18(10-14)23-4/h5-8,10,19H,9,11H2,1-4H3,(H,20,21)