methyl 5-[3-(4-octylphenyl)oxiran-2-yl]pentanoate

Systemtic Name: methyl 5-[3-(4-octylphenyl)oxiran-2-yl]pentanoate Openeye Name: methyl 5-[3-(4-octylphenyl)oxiran-2-yl]pentanoate CAS Name: 5-[3-(4-octylphenyl)-2-oxiranyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[3-(4-octylphenyl)oxiran-2-yl]pentanoate Traditional Name: 5-[3-(4-octylphenyl)oxiran-2-yl]valeric acid methyl ester Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2C(O2)CCCCC(=O)OC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2C(O2)CCCCC(=O)OC

InChI

InChI=1S/C22H34O3/c1-3-4-5-6-7-8-11-18-14-16-19(17-15-18)22-20(25-22)12-9-10-13-21(23)24-2/h14-17,20,22H,3-13H2,1-2H3