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

Systemtic Name: 3-[4-[2-(3,4-diethylphenyl)-2-methyl-propanoyl]oxyphenyl]sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-[2-(3,4-diethylphenyl)-2-methyl-propanoyl]oxyphenyl]sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[[4-[2-(3,4-diethylphenyl)-2-methyl-1-oxopropoxy]phenyl]thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-[2-(3,4-diethylphenyl)-2-methylpropanoyl]oxyphenyl]sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[[4-[2-(3,4-diethylphenyl)-2-methyl-propanoyl]oxyphenyl]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)(C)C(=O)OC2=CC=C(C=C2)SCC(C)(C)C(=O)O)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C(C)(C)C(=O)OC2=CC=C(C=C2)SCC(C)(C)C(=O)O)CC

InChI

InChI=1S/C25H32O4S/c1-7-17-9-10-19(15-18(17)8-2)25(5,6)23(28)29-20-11-13-21(14-12-20)30-16-24(3,4)22(26)27/h9-15H,7-8,16H2,1-6H3,(H,26,27)