6-(4-ethylphenyl)-3-heptyl-oxan-2-one

Systemtic Name: 6-(4-ethylphenyl)-3-heptyl-oxan-2-one Openeye Name: 6-(4-ethylphenyl)-3-heptyl-tetrahydropyran-2-one CAS Name: 6-(4-ethylphenyl)-3-heptyl-2-oxanone IUPAC Name: 6-(4-ethylphenyl)-3-heptyloxan-2-one Traditional Name: 6-(4-ethylphenyl)-3-heptyl-tetrahydropyran-2-one Formula: C20H30O2 MolecularWeight: 302.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CC

InChI

InChI=1S/C20H30O2/c1-3-5-6-7-8-9-18-14-15-19(22-20(18)21)17-12-10-16(4-2)11-13-17/h10-13,18-19H,3-9,14-15H2,1-2H3