methyl 2-methoxy-5-octadecanoyl-benzoate

Systemtic Name: methyl 2-methoxy-5-octadecanoyl-benzoate Openeye Name: methyl 2-methoxy-5-octadecanoyl-benzoate CAS Name: 2-methoxy-5-(1-oxooctadecyl)benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-octadecanoylbenzoate Traditional Name: 2-methoxy-5-stearoyl-benzoic acid methyl ester Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)OC)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)OC)C(=O)OC

InChI

InChI=1S/C27H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)23-20-21-26(30-2)24(22-23)27(29)31-3/h20-22H,4-19H2,1-3H3