[4-(5-heptyl-1,3-dioxan-2-yl)phenyl] pentanoate

Systemtic Name: [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] pentanoate Openeye Name: [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] pentanoate CAS Name: pentanoic acid [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] pentanoate Traditional Name: valeric acid [4-(5-heptyl-1,3-dioxan-2-yl)phenyl] ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)CCCC

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)CCCC

InChI

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