5-heptyl-2-[2-(4-hexoxyphenyl)ethanoyl]cyclohexan-1-one

Systemtic Name: 5-heptyl-2-[2-(4-hexoxyphenyl)ethanoyl]cyclohexan-1-one Openeye Name: 5-heptyl-2-[2-(4-hexoxyphenyl)acetyl]cyclohexanone CAS Name: 5-heptyl-2-[2-(4-hexoxyphenyl)-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-heptyl-2-[2-(4-hexoxyphenyl)acetyl]cyclohexan-1-one Traditional Name: 5-heptyl-2-[2-(4-hexoxyphenyl)acetyl]cyclohexanone Formula: C27H42O3 MolecularWeight: 414.62058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(C(=O)C1)C(=O)CC2=CC=C(C=C2)OCCCCCC

Isomeric SMILES

CCCCCCCC1CCC(C(=O)C1)C(=O)CC2=CC=C(C=C2)OCCCCCC

InChI

InChI=1S/C27H42O3/c1-3-5-7-9-10-12-22-15-18-25(26(28)20-22)27(29)21-23-13-16-24(17-14-23)30-19-11-8-6-4-2/h13-14,16-17,22,25H,3-12,15,18-21H2,1-2H3