3-octadecanoyl-4-oxidanyl-benzoic acid

Systemtic Name: 3-octadecanoyl-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-octadecanoyl-benzoic acid CAS Name: 4-hydroxy-3-(1-oxooctadecyl)benzoic acid IUPAC Name: 4-hydroxy-3-octadecanoylbenzoic acid Traditional Name: 4-hydroxy-3-stearoyl-benzoic acid Formula: C25H40O4 MolecularWeight: 404.5827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)22-20-21(25(28)29)18-19-24(22)27/h18-20,27H,2-17H2,1H3,(H,28,29)