[(E)-5-bromanyl-1-[2,2,4-trimethyl-3-(2-oxidanylidenebut-3-enyl)cyclohex-3-en-1-yl]pent-1-en-3-yl] ethanoate

Systemtic Name: [(E)-5-bromanyl-1-[2,2,4-trimethyl-3-(2-oxidanylidenebut-3-enyl)cyclohex-3-en-1-yl]pent-1-en-3-yl] ethanoate Openeye Name: [(E)-1-(2-bromoethyl)-3-[2,2,4-trimethyl-3-(2-oxobut-3-enyl)cyclohex-3-en-1-yl]allyl] acetate CAS Name: acetic acid [(E)-5-bromo-1-[2,2,4-trimethyl-3-(2-oxobut-3-enyl)-1-cyclohex-3-enyl]pent-1-en-3-yl] ester IUPAC Name: [(E)-5-bromo-1-[2,2,4-trimethyl-3-(2-oxobut-3-enyl)cyclohex-3-en-1-yl]pent-1-en-3-yl] acetate Traditional Name: acetic acid [(E)-1-(2-bromoethyl)-3-[3-(2-ketobut-3-enyl)-2,2,4-trimethyl-cyclohex-3-en-1-yl]allyl] ester Formula: C20H29BrO3 MolecularWeight: 397.34646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)C=CC(CCBr)OC(=O)C)(C)C)CC(=O)C=C

Isomeric SMILES

CC1=C(C(C(CC1)/C=C/C(CCBr)OC(=O)C)(C)C)CC(=O)C=C

InChI

InChI=1S/C20H29BrO3/c1-6-17(23)13-19-14(2)7-8-16(20(19,4)5)9-10-18(11-12-21)24-15(3)22/h6,9-10,16,18H,1,7-8,11-13H2,2-5H3/b10-9+