3-chloranyl-2,6-dimethyl-octa-1,7-diene; [(1E)-2,5-dimethylocta-1,7-dienyl] ethanoate

Systemtic Name: 3-chloranyl-2,6-dimethyl-octa-1,7-diene; [(1E)-2,5-dimethylocta-1,7-dienyl] ethanoate Openeye Name: 3-chloro-2,6-dimethyl-octa-1,7-diene; [(1E)-2,5-dimethylocta-1,7-dienyl] acetate CAS Name: acetic acid [(1E)-2,5-dimethylocta-1,7-dienyl] ester; 3-chloro-2,6-dimethylocta-1,7-diene IUPAC Name: 3-chloro-2,6-dimethylocta-1,7-diene; [(1E)-2,5-dimethylocta-1,7-dienyl] acetate Traditional Name: acetic acid [(1E)-2,5-dimethylocta-1,7-dienyl] ester; 3-chloro-2,6-dimethyl-octa-1,7-diene Formula: C22H37ClO2 MolecularWeight: 368.98098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=COC(=O)C)C)CC=C.CC(CCC(C(=C)C)Cl)C=C

Isomeric SMILES

CC(CC/C(=C/OC(=O)C)/C)CC=C.CC(CCC(C(=C)C)Cl)C=C

InChI

InChI=1S/C12H20O2.C10H17Cl/c1-5-6-10(2)7-8-11(3)9-14-12(4)13;1-5-9(4)6-7-10(11)8(2)3/h5,9-10H,1,6-8H2,2-4H3;5,9-10H,1-2,6-7H2,3-4H3/b11-9+;