(3E)-7-(4-methylphenoxy)-3-(1-oxidanylethylidene)heptan-2-one

Systemtic Name: (3E)-7-(4-methylphenoxy)-3-(1-oxidanylethylidene)heptan-2-one Openeye Name: (3E)-3-(1-hydroxyethylidene)-7-(4-methylphenoxy)heptan-2-one CAS Name: (3E)-3-(1-hydroxyethylidene)-7-(4-methylphenoxy)-2-heptanone IUPAC Name: (3E)-3-(1-hydroxyethylidene)-7-(4-methylphenoxy)heptan-2-one Traditional Name: (E)-4-hydroxy-3-[4-(4-methylphenoxy)butyl]pent-3-en-2-one Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCC(=C(C)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC/C(=C(/C)\O)/C(=O)C

InChI

InChI=1S/C16H22O3/c1-12-7-9-15(10-8-12)19-11-5-4-6-16(13(2)17)14(3)18/h7-10,17H,4-6,11H2,1-3H3/b16-13+