(6-methyl-9-oxidanylidene-2-bicyclo[4.3.1]decanyl) 4-bromanylbenzoate

Systemtic Name: (6-methyl-9-oxidanylidene-2-bicyclo[4.3.1]decanyl) 4-bromanylbenzoate Openeye Name: (6-methyl-9-oxo-2-bicyclo[4.3.1]decanyl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (6-methyl-9-oxo-2-bicyclo[4.3.1]decanyl) ester IUPAC Name: (6-methyl-9-oxo-2-bicyclo[4.3.1]decanyl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (9-keto-6-methyl-2-bicyclo[4.3.1]decanyl) ester Formula: C18H21BrO3 MolecularWeight: 365.26154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C(C1)C(=O)CC2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC12CCCC(C(C1)C(=O)CC2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H21BrO3/c1-18-9-2-3-16(14(11-18)15(20)8-10-18)22-17(21)12-4-6-13(19)7-5-12/h4-7,14,16H,2-3,8-11H2,1H3