4-(5-methyl-2-oxidanyl-phenyl)sulfanylbutylphosphonic acid

Systemtic Name: 4-(5-methyl-2-oxidanyl-phenyl)sulfanylbutylphosphonic acid Openeye Name: 4-(2-hydroxy-5-methyl-phenyl)sulfanylbutylphosphonic acid CAS Name: 4-[(2-hydroxy-5-methylphenyl)thio]butylphosphonic acid IUPAC Name: 4-(2-hydroxy-5-methylphenyl)sulfanylbutylphosphonic acid Traditional Name: 4-[(2-hydroxy-5-methyl-phenyl)thio]butylphosphonic acid Formula: C11H17O4PS MolecularWeight: 276.289041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)SCCCCP(=O)(O)O

Isomeric SMILES

CC1=CC(=C(C=C1)O)SCCCCP(=O)(O)O

InChI

InChI=1S/C11H17O4PS/c1-9-4-5-10(12)11(8-9)17-7-3-2-6-16(13,14)15/h4-5,8,12H,2-3,6-7H2,1H3,(H2,13,14,15)