[4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C18H16BrClO3S MolecularWeight: 427.73984

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H16BrClO3S/c1-24-14-8-9-16(20)15(11-14)18(22)23-10-2-3-17(21)12-4-6-13(19)7-5-12/h4-9,11H,2-3,10H2,1H3