3,7-dimethyloct-6-enal; 1-phenylethanone

Systemtic Name: 3,7-dimethyloct-6-enal; 1-phenylethanone Openeye Name: 3,7-dimethyloct-6-enal; 1-phenylethanone CAS Name: 3,7-dimethyl-6-octenal; 1-phenylethanone IUPAC Name: 3,7-dimethyloct-6-enal; 1-phenylethanone Traditional Name: acetophenone; 3,7-dimethyloct-6-enal Formula: C18H26O2 MolecularWeight: 274.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CC=O.CC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CCC=C(C)C)CC=O.CC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H18O.C8H8O/c1-9(2)5-4-6-10(3)7-8-11;1-7(9)8-5-3-2-4-6-8/h5,8,10H,4,6-7H2,1-3H3;2-6H,1H3