methyl 2-[2-(4-tert-butylphenyl)sulfanylcycloheptyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(4-tert-butylphenyl)sulfanylcycloheptyl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-tert-butylphenyl)sulfanylcycloheptyl]sulfanylacetate CAS Name: 2-[[2-[(4-tert-butylphenyl)thio]cycloheptyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-tert-butylphenyl)sulfanylcycloheptyl]sulfanylacetate Traditional Name: 2-[[2-[(4-tert-butylphenyl)thio]cycloheptyl]thio]acetic acid methyl ester Formula: C20H30O2S2 MolecularWeight: 366.581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2CCCCCC2SCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2CCCCCC2SCC(=O)OC

InChI

InChI=1S/C20H30O2S2/c1-20(2,3)15-10-12-16(13-11-15)24-18-9-7-5-6-8-17(18)23-14-19(21)22-4/h10-13,17-18H,5-9,14H2,1-4H3