2-[2-(3-tert-butylphenyl)sulfanylcyclohexyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(3-tert-butylphenyl)sulfanylcyclohexyl]sulfanylethanoic acid Openeye Name: 2-[2-(3-tert-butylphenyl)sulfanylcyclohexyl]sulfanylacetic acid CAS Name: 2-[[2-[(3-tert-butylphenyl)thio]cyclohexyl]thio]acetic acid IUPAC Name: 2-[2-(3-tert-butylphenyl)sulfanylcyclohexyl]sulfanylacetic acid Traditional Name: 2-[[2-[(3-tert-butylphenyl)thio]cyclohexyl]thio]acetic acid Formula: C18H26O2S2 MolecularWeight: 338.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)SC2CCCCC2SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)SC2CCCCC2SCC(=O)O

InChI

InChI=1S/C18H26O2S2/c1-18(2,3)13-7-6-8-14(11-13)22-16-10-5-4-9-15(16)21-12-17(19)20/h6-8,11,15-16H,4-5,9-10,12H2,1-3H3,(H,19,20)