4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-(cyclohexylthio)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-cyclohexylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-(cyclohexylthio)-4-keto-butyric acid Formula: C16H19BrO3S MolecularWeight: 371.28926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCC(CC1)SC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H19BrO3S/c17-12-8-6-11(7-9-12)14(18)10-15(16(19)20)21-13-4-2-1-3-5-13/h6-9,13,15H,1-5,10H2,(H,19,20)