2-[(3-butyl-5-octyl-4-oxidanyl-phenyl)methyl]propanedioic acid

Systemtic Name: 2-[(3-butyl-5-octyl-4-oxidanyl-phenyl)methyl]propanedioic acid Openeye Name: 2-[(3-butyl-4-hydroxy-5-octyl-phenyl)methyl]propanedioic acid CAS Name: 2-[(3-butyl-4-hydroxy-5-octylphenyl)methyl]propanedioic acid IUPAC Name: 2-[(3-butyl-4-hydroxy-5-octylphenyl)methyl]propanedioic acid Traditional Name: 2-(3-butyl-4-hydroxy-5-octyl-benzyl)malonic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1O)CCCC)CC(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=C1O)CCCC)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C22H34O5/c1-3-5-7-8-9-10-12-18-14-16(15-19(21(24)25)22(26)27)13-17(20(18)23)11-6-4-2/h13-14,19,23H,3-12,15H2,1-2H3,(H,24,25)(H,26,27)