[7-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [7-(4-bromophenyl)-2-oxidanylidene-1,3-benzoxathiol-5-yl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] ester IUPAC Name: [7-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [7-(4-bromophenyl)-2-keto-1,3-benzoxathiol-5-yl] ester Formula: C24H25BrO4S MolecularWeight: 489.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=O)S3

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OC2=CC3=C(C(=C2)C4=CC=C(C=C4)Br)OC(=O)S3

InChI

InChI=1S/C24H25BrO4S/c1-24(2,3)16-8-4-15(5-9-16)22(26)28-18-12-19(14-6-10-17(25)11-7-14)21-20(13-18)30-23(27)29-21/h6-7,10-13,15-16H,4-5,8-9H2,1-3H3