2-(1-oxidanyl-3-oxidanylidene-icosyl)benzoic acid

Systemtic Name: 2-(1-oxidanyl-3-oxidanylidene-icosyl)benzoic acid Openeye Name: 2-(1-hydroxy-3-oxo-icosyl)benzoic acid CAS Name: 2-(1-hydroxy-3-oxoeicosyl)benzoic acid IUPAC Name: 2-(1-hydroxy-3-oxoicosyl)benzoic acid Traditional Name: 2-(1-hydroxy-3-keto-eicosyl)benzoic acid Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)CC(C1=CC=CC=C1C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)CC(C1=CC=CC=C1C(=O)O)O

InChI

InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(28)22-26(29)24-20-17-18-21-25(24)27(30)31/h17-18,20-21,26,29H,2-16,19,22H2,1H3,(H,30,31)