2-methoxy-5-octadecanoyl-benzoic acid

Systemtic Name: 2-methoxy-5-octadecanoyl-benzoic acid Openeye Name: 2-methoxy-5-octadecanoyl-benzoic acid CAS Name: 2-methoxy-5-(1-oxooctadecyl)benzoic acid IUPAC Name: 2-methoxy-5-octadecanoylbenzoic acid Traditional Name: 2-methoxy-5-stearoyl-benzoic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)22-19-20-25(30-2)23(21-22)26(28)29/h19-21H,3-18H2,1-2H3,(H,28,29)