3-[4-[2-(4-methoxyphenyl)-2-methyl-propanoyl]oxyphenyl]sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-[2-(4-methoxyphenyl)-2-methyl-propanoyl]oxyphenyl]sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-[2-(4-methoxyphenyl)-2-methyl-propanoyl]oxyphenyl]sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[[4-[2-(4-methoxyphenyl)-2-methyl-1-oxopropoxy]phenyl]thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-[2-(4-methoxyphenyl)-2-methylpropanoyl]oxyphenyl]sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[[4-[2-(4-methoxyphenyl)-2-methyl-propanoyl]oxyphenyl]thio]-2,2-dimethyl-propionic acid Formula: C22H26O5S MolecularWeight: 402.50384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=C(C=C1)OC(=O)C(C)(C)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(CSC1=CC=C(C=C1)OC(=O)C(C)(C)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C22H26O5S/c1-21(2,19(23)24)14-28-18-12-10-17(11-13-18)27-20(25)22(3,4)15-6-8-16(26-5)9-7-15/h6-13H,14H2,1-5H3,(H,23,24)