3-[4-[2-(3,4-diethylphenyl)-2-methyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-[2-(3,4-diethylphenyl)-2-methyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-[2-(3,4-diethylphenyl)-3-hydroxy-2-methyl-3-oxo-propyl]phenyl]sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[[4-[2-(3,4-diethylphenyl)-3-hydroxy-2-methyl-3-oxopropyl]phenyl]thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-[2-(3,4-diethylphenyl)-3-hydroxy-2-methyl-3-oxopropyl]phenyl]sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[[4-[2-(3,4-diethylphenyl)-3-hydroxy-3-keto-2-methyl-propyl]phenyl]thio]-2,2-dimethyl-propionic acid Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(C)(CC2=CC=C(C=C2)SCC(C)(C)C(=O)O)C(=O)O)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C)(CC2=CC=C(C=C2)SCC(C)(C)C(=O)O)C(=O)O)CC

InChI

InChI=1S/C25H32O4S/c1-6-18-10-11-20(14-19(18)7-2)25(5,23(28)29)15-17-8-12-21(13-9-17)30-16-24(3,4)22(26)27/h8-14H,6-7,15-16H2,1-5H3,(H,26,27)(H,28,29)