[(Z,6S)-7-bromanyl-6-oxidanyl-8-phenyl-oct-7-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(Z,6S)-7-bromanyl-6-oxidanyl-8-phenyl-oct-7-enyl] 2,2-dimethylpropanoate Openeye Name: [(Z,6S)-7-bromo-6-hydroxy-8-phenyl-oct-7-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(Z,6S)-7-bromo-6-hydroxy-8-phenyloct-7-enyl] ester IUPAC Name: [(Z,6S)-7-bromo-6-hydroxy-8-phenyloct-7-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(Z,6S)-7-bromo-6-hydroxy-8-phenyl-oct-7-enyl] ester Formula: C19H27BrO3 MolecularWeight: 383.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCCC(C(=CC1=CC=CC=C1)Br)O

Isomeric SMILES

CC(C)(C)C(=O)OCCCCC[C@@H](/C(=C/C1=CC=CC=C1)/Br)O

InChI

InChI=1S/C19H27BrO3/c1-19(2,3)18(22)23-13-9-5-8-12-17(21)16(20)14-15-10-6-4-7-11-15/h4,6-7,10-11,14,17,21H,5,8-9,12-13H2,1-3H3/b16-14-/t17-/m0/s1