ethyl (Z)-8-ethanoyl-12-methyl-8-phenyl-heptadec-11-enoate

Systemtic Name: ethyl (Z)-8-ethanoyl-12-methyl-8-phenyl-heptadec-11-enoate Openeye Name: ethyl (Z)-8-acetyl-12-methyl-8-phenyl-heptadec-11-enoate CAS Name: (Z)-8-acetyl-12-methyl-8-phenyl-11-heptadecenoic acid ethyl ester IUPAC Name: ethyl (Z)-8-acetyl-12-methyl-8-phenylheptadec-11-enoate Traditional Name: (Z)-8-acetyl-12-methyl-8-phenyl-heptadec-11-enoic acid ethyl ester Formula: C28H44O3 MolecularWeight: 428.64716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C(=C\CCC(CCCCCCC(=O)OCC)(C1=CC=CC=C1)C(=O)C)/C

InChI

InChI=1S/C28H44O3/c1-5-7-11-17-24(3)18-16-23-28(25(4)29,26-19-12-10-13-20-26)22-15-9-8-14-21-27(30)31-6-2/h10,12-13,18-20H,5-9,11,14-17,21-23H2,1-4H3/b24-18-