ethyl 8-ethanoyl-8-(2-methylphenyl)-12-phenylmethoxy-heptadecanoate

Systemtic Name: ethyl 8-ethanoyl-8-(2-methylphenyl)-12-phenylmethoxy-heptadecanoate Openeye Name: ethyl 8-acetyl-12-benzyloxy-8-(o-tolyl)heptadecanoate CAS Name: 8-acetyl-8-(2-methylphenyl)-12-phenylmethoxyheptadecanoic acid ethyl ester IUPAC Name: ethyl 8-acetyl-8-(2-methylphenyl)-12-phenylmethoxyheptadecanoate Traditional Name: 8-acetyl-12-benzoxy-8-(o-tolyl)heptadecanoic acid ethyl ester Formula: C35H52O4 MolecularWeight: 536.78498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)OCC)(C1=CC=CC=C1C)C(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)OCC)(C1=CC=CC=C1C)C(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C35H52O4/c1-5-7-11-22-32(39-28-31-20-12-10-13-21-31)23-18-27-35(30(4)36,33-24-16-15-19-29(33)3)26-17-9-8-14-25-34(37)38-6-2/h10,12-13,15-16,19-21,24,32H,5-9,11,14,17-18,22-23,25-28H2,1-4H3