5-[2-(3-carboxy-4-oxidanyl-phenyl)octan-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(3-carboxy-4-oxidanyl-phenyl)octan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-4-hydroxy-phenyl)-1-methyl-heptyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-(3-carboxy-4-hydroxyphenyl)octan-2-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(3-carboxy-4-hydroxyphenyl)octan-2-yl]-2-hydroxybenzoic acid Traditional Name: 5-[1-(3-carboxy-4-hydroxy-phenyl)-1-methyl-heptyl]-2-hydroxy-benzoic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C1=CC(=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2)O)C(=O)O

Isomeric SMILES

CCCCCCC(C)(C1=CC(=C(C=C1)O)C(=O)O)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C22H26O6/c1-3-4-5-6-11-22(2,14-7-9-18(23)16(12-14)20(25)26)15-8-10-19(24)17(13-15)21(27)28/h7-10,12-13,23-24H,3-6,11H2,1-2H3,(H,25,26)(H,27,28)