1-(4-hexylphenyl)-2-oxidanyl-heptane-1,4-dione

Systemtic Name: 1-(4-hexylphenyl)-2-oxidanyl-heptane-1,4-dione Openeye Name: 1-(4-hexylphenyl)-2-hydroxy-heptane-1,4-dione CAS Name: 1-(4-hexylphenyl)-2-hydroxyheptane-1,4-dione IUPAC Name: 1-(4-hexylphenyl)-2-hydroxyheptane-1,4-dione Traditional Name: 1-(4-hexylphenyl)-2-hydroxy-heptane-1,4-dione Formula: C19H28O3 MolecularWeight: 304.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C(CC(=O)CCC)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C(CC(=O)CCC)O

InChI

InChI=1S/C19H28O3/c1-3-5-6-7-9-15-10-12-16(13-11-15)19(22)18(21)14-17(20)8-4-2/h10-13,18,21H,3-9,14H2,1-2H3