ethyl 8-ethanoyl-13-(3-ethylphenoxy)-12-oxidanyl-tridecanoate

Systemtic Name: ethyl 8-ethanoyl-13-(3-ethylphenoxy)-12-oxidanyl-tridecanoate Openeye Name: ethyl 8-acetyl-13-(3-ethylphenoxy)-12-hydroxy-tridecanoate CAS Name: 8-acetyl-13-(3-ethylphenoxy)-12-hydroxytridecanoic acid ethyl ester IUPAC Name: ethyl 8-acetyl-13-(3-ethylphenoxy)-12-hydroxytridecanoate Traditional Name: 8-acetyl-13-(3-ethylphenoxy)-12-hydroxy-tridecanoic acid ethyl ester Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CCCC(CCCCCCC(=O)OCC)C(=O)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CCCC(CCCCCCC(=O)OCC)C(=O)C)O

InChI

InChI=1S/C25H40O5/c1-4-21-12-10-16-24(18-21)30-19-23(27)15-11-14-22(20(3)26)13-8-6-7-9-17-25(28)29-5-2/h10,12,16,18,22-23,27H,4-9,11,13-15,17,19H2,1-3H3