4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-propyl-phenyl]-3,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]-3-propyl-phenyl]-3,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]-3-propyl-phenyl]-3,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-propylphenyl]-3,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-propylphenyl]-3,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-propyl-phenyl]-4-keto-3,3-dimethyl-butyric acid Formula: C29H38O6S MolecularWeight: 514.67342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C(C)(C)CC(=O)O)SCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C(C)(C)CC(=O)O)SCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC

InChI

InChI=1S/C29H38O6S/c1-6-9-20-17-21(28(34)29(4,5)18-26(31)32)11-14-25(20)36-16-8-15-35-24-13-12-22(19(3)30)27(33)23(24)10-7-2/h11-14,17,33H,6-10,15-16,18H2,1-5H3,(H,31,32)