ethyl (E,3S)-8-bromanyl-2,7-dimethyl-3-(3-methylphenyl)oct-6-enoate

Systemtic Name: ethyl (E,3S)-8-bromanyl-2,7-dimethyl-3-(3-methylphenyl)oct-6-enoate Openeye Name: ethyl (E,3S)-8-bromo-2,7-dimethyl-3-(m-tolyl)oct-6-enoate CAS Name: (E,3S)-8-bromo-2,7-dimethyl-3-(3-methylphenyl)-6-octenoic acid ethyl ester IUPAC Name: ethyl (E,3S)-8-bromo-2,7-dimethyl-3-(3-methylphenyl)oct-6-enoate Traditional Name: (E,3S)-8-bromo-2,7-dimethyl-3-(m-tolyl)oct-6-enoic acid ethyl ester Formula: C19H27BrO2 MolecularWeight: 367.32048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(CCC=C(C)CBr)C1=CC=CC(=C1)C

Isomeric SMILES

CCOC(=O)C(C)[C@H](CC/C=C(\C)/CBr)C1=CC=CC(=C1)C

InChI

InChI=1S/C19H27BrO2/c1-5-22-19(21)16(4)18(11-7-9-15(3)13-20)17-10-6-8-14(2)12-17/h6,8-10,12,16,18H,5,7,11,13H2,1-4H3/b15-9+/t16?,18-/m0/s1