3-(4-methoxycarbonyl-3,5-dimethyl-cyclohexa-1,3-dien-1-yl)sulfanyl-2,2,3-trimethyl-butanoic acid

Systemtic Name: 3-(4-methoxycarbonyl-3,5-dimethyl-cyclohexa-1,3-dien-1-yl)sulfanyl-2,2,3-trimethyl-butanoic acid Openeye Name: 3-(4-methoxycarbonyl-3,5-dimethyl-cyclohexa-1,3-dien-1-yl)sulfanyl-2,2,3-trimethyl-butanoic acid CAS Name: 3-[(4-methoxycarbonyl-3,5-dimethyl-1-cyclohexa-1,3-dienyl)thio]-2,2,3-trimethylbutanoic acid IUPAC Name: 3-(4-methoxycarbonyl-3,5-dimethylcyclohexa-1,3-dien-1-yl)sulfanyl-2,2,3-trimethylbutanoic acid Traditional Name: 3-[(4-carbomethoxy-3,5-dimethyl-cyclohexa-1,3-dien-1-yl)thio]-2,2,3-trimethyl-butyric acid Formula: C17H26O4S MolecularWeight: 326.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=C1C(=O)OC)C)SC(C)(C)C(C)(C)C(=O)O

Isomeric SMILES

CC1CC(=CC(=C1C(=O)OC)C)SC(C)(C)C(C)(C)C(=O)O

InChI

InChI=1S/C17H26O4S/c1-10-8-12(9-11(2)13(10)14(18)21-7)22-17(5,6)16(3,4)15(19)20/h8,11H,9H2,1-7H3,(H,19,20)