3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-one

Systemtic Name: 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-one Openeye Name: 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-one CAS Name: 3,5,5-trimethyl-1-(4-propylphenyl)-1-hexanone IUPAC Name: 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-one Traditional Name: 3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-one Formula: C18H28O MolecularWeight: 260.41432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C18H28O/c1-6-7-15-8-10-16(11-9-15)17(19)12-14(2)13-18(3,4)5/h8-11,14H,6-7,12-13H2,1-5H3