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

Systemtic Name: 1-(4-octylphenyl)-2-oxidanyl-heptane-1,4-dione Openeye Name: 2-hydroxy-1-(4-octylphenyl)heptane-1,4-dione CAS Name: 2-hydroxy-1-(4-octylphenyl)heptane-1,4-dione IUPAC Name: 2-hydroxy-1-(4-octylphenyl)heptane-1,4-dione Traditional Name: 2-hydroxy-1-(4-octylphenyl)heptane-1,4-dione Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)C(CC(=O)CCC)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)C(CC(=O)CCC)O

InChI

InChI=1S/C21H32O3/c1-3-5-6-7-8-9-11-17-12-14-18(15-13-17)21(24)20(23)16-19(22)10-4-2/h12-15,20,23H,3-11,16H2,1-2H3