2-(2-octanoylphenyl)-2-oxidanyl-ethanoic acid

Systemtic Name: 2-(2-octanoylphenyl)-2-oxidanyl-ethanoic acid Openeye Name: 2-hydroxy-2-(2-octanoylphenyl)acetic acid CAS Name: 2-hydroxy-2-[2-(1-oxooctyl)phenyl]acetic acid IUPAC Name: 2-hydroxy-2-(2-octanoylphenyl)acetic acid Traditional Name: 2-(2-caprylylphenyl)-2-hydroxy-acetic acid Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=CC=C1C(C(=O)O)O

Isomeric SMILES

CCCCCCCC(=O)C1=CC=CC=C1C(C(=O)O)O

InChI

InChI=1S/C16H22O4/c1-2-3-4-5-6-11-14(17)12-9-7-8-10-13(12)15(18)16(19)20/h7-10,15,18H,2-6,11H2,1H3,(H,19,20)