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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCC(=C(C)O)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1OCCCC/C(=C(/C)\O)/C(=O)C

InChI

InChI=1S/C16H22O3/c1-12-8-4-5-10-16(12)19-11-7-6-9-15(13(2)17)14(3)18/h4-5,8,10,17H,6-7,9,11H2,1-3H3/b15-13+