methyl 2-[2-(3-bromophenyl)sulfanylcyclohexyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-(3-bromophenyl)sulfanylcyclohexyl]sulfanylethanoate Openeye Name: methyl 2-[2-(3-bromophenyl)sulfanylcyclohexyl]sulfanylacetate CAS Name: 2-[[2-[(3-bromophenyl)thio]cyclohexyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-bromophenyl)sulfanylcyclohexyl]sulfanylacetate Traditional Name: 2-[[2-[(3-bromophenyl)thio]cyclohexyl]thio]acetic acid methyl ester Formula: C15H19BrO2S2 MolecularWeight: 375.34416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1CCCCC1SC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)CSC1CCCCC1SC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H19BrO2S2/c1-18-15(17)10-19-13-7-2-3-8-14(13)20-12-6-4-5-11(16)9-12/h4-6,9,13-14H,2-3,7-8,10H2,1H3