4-bromanyl-3-(cyclohexylmethylsulfonyl)benzoic acid

Systemtic Name: 4-bromanyl-3-(cyclohexylmethylsulfonyl)benzoic acid Openeye Name: 4-bromo-3-(cyclohexylmethylsulfonyl)benzoic acid CAS Name: 4-bromo-3-(cyclohexylmethylsulfonyl)benzoic acid IUPAC Name: 4-bromo-3-(cyclohexylmethylsulfonyl)benzoic acid Traditional Name: 4-bromo-3-(cyclohexylmethylsulfonyl)benzoic acid Formula: C14H17BrO4S MolecularWeight: 361.25138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrO4S/c15-12-7-6-11(14(16)17)8-13(12)20(18,19)9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,16,17)