5-octyl-4-(2-octylphenyl)-2-oxidanyl-benzoate

Systemtic Name: 5-octyl-4-(2-octylphenyl)-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-5-octyl-4-(2-octylphenyl)benzoate CAS Name: 2-hydroxy-5-octyl-4-(2-octylphenyl)benzoate IUPAC Name: 2-hydroxy-5-octyl-4-(2-octylphenyl)benzoate Traditional Name: 2-hydroxy-5-octyl-4-(2-octylphenyl)benzoate Formula: C29H41O3- MolecularWeight: 437.63404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1C2=CC(=C(C=C2CCCCCCCC)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1C2=CC(=C(C=C2CCCCCCCC)C(=O)[O-])O

InChI

InChI=1S/C29H42O3/c1-3-5-7-9-11-13-17-23-18-15-16-20-25(23)26-22-28(30)27(29(31)32)21-24(26)19-14-12-10-8-6-4-2/h15-16,18,20-22,30H,3-14,17,19H2,1-2H3,(H,31,32)/p-1