[4-(5-pentyl-1,3-dioxan-2-yl)phenyl] heptanoate

Systemtic Name: [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] heptanoate Openeye Name: [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-pentyl-1,3-dioxan-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [4-(5-amyl-1,3-dioxan-2-yl)phenyl] ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)C2OCC(CO2)CCCCC

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)C2OCC(CO2)CCCCC

InChI

InChI=1S/C22H34O4/c1-3-5-7-9-11-21(23)26-20-14-12-19(13-15-20)22-24-16-18(17-25-22)10-8-6-4-2/h12-15,18,22H,3-11,16-17H2,1-2H3