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

Systemtic Name: 3-butan-2-yl-5-[2-(3-butan-2-yl-5-carboxy-4-oxidanyl-phenyl)propan-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[1-(3-carboxy-4-hydroxy-5-sec-butyl-phenyl)-1-methyl-ethyl]-2-hydroxy-3-sec-butyl-benzoic acid CAS Name: 3-butan-2-yl-5-[2-(3-butan-2-yl-5-carboxy-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzoic acid IUPAC Name: 3-butan-2-yl-5-[2-(3-butan-2-yl-5-carboxy-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzoic acid Traditional Name: 5-[1-(3-carboxy-4-hydroxy-5-sec-butyl-phenyl)-1-methyl-ethyl]-2-hydroxy-3-sec-butyl-benzoic acid Formula: C25H32O6 MolecularWeight: 428.51798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32O6/c1-7-13(3)17-9-15(11-19(21(17)26)23(28)29)25(5,6)16-10-18(14(4)8-2)22(27)20(12-16)24(30)31/h9-14,26-27H,7-8H2,1-6H3,(H,28,29)(H,30,31)