O1-methyl O3-phenyl 2-hexadecylpropanedioate

Systemtic Name: O1-methyl O3-phenyl 2-hexadecylpropanedioate Openeye Name: O1-methyl O3-phenyl 2-hexadecylpropanedioate CAS Name: 2-hexadecylpropanedioic acid O1-methyl ester O3-phenyl ester IUPAC Name: 1-O-methyl 3-O-phenyl 2-hexadecylpropanedioate Traditional Name: 2-cetylmalonic acid O1-methyl ester O3-phenyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)OC)C(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)OC)C(=O)OC1=CC=CC=C1

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25(27)29-2)26(28)30-23-20-17-16-18-21-23/h16-18,20-21,24H,3-15,19,22H2,1-2H3