5-butan-2-yl-3-[(5-butan-2-yl-3-carboxy-2-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-butan-2-yl-3-[(5-butan-2-yl-3-carboxy-2-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 3-[(3-carboxy-2-hydroxy-5-sec-butyl-phenyl)methyl]-2-hydroxy-5-sec-butyl-benzoic acid CAS Name: 5-butan-2-yl-3-[(5-butan-2-yl-3-carboxy-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-butan-2-yl-3-[(5-butan-2-yl-3-carboxy-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 3-(3-carboxy-2-hydroxy-5-sec-butyl-benzyl)-2-hydroxy-5-sec-butyl-benzoic acid Formula: C23H28O6 MolecularWeight: 400.46482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=C(C(=CC(=C2)C(C)CC)C(=O)O)O

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=C(C(=CC(=C2)C(C)CC)C(=O)O)O

InChI

InChI=1S/C23H28O6/c1-5-12(3)14-7-16(20(24)18(10-14)22(26)27)9-17-8-15(13(4)6-2)11-19(21(17)25)23(28)29/h7-8,10-13,24-25H,5-6,9H2,1-4H3,(H,26,27)(H,28,29)