5-[3,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-4-butoxy-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 5-[3,4-bis(oxidanyl)-5-propan-2-yl-phenyl]-4-butoxy-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-butoxy-5-(3,4-dihydroxy-5-isopropyl-phenyl)-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-butoxy-5-(3,4-dihydroxy-5-propan-2-ylphenyl)-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-butoxy-5-(3,4-dihydroxy-5-propan-2-ylphenyl)-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-butoxy-5-(3,4-dihydroxy-5-isopropyl-phenyl)-2-hydroxy-3-propyl-benzoic acid Formula: C23H30O6 MolecularWeight: 402.4807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1C2=CC(=C(C(=C2)O)O)C(C)C)C(=O)O)O)CCC

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1C2=CC(=C(C(=C2)O)O)C(C)C)C(=O)O)O)CCC

InChI

InChI=1S/C23H30O6/c1-5-7-9-29-22-15(8-6-2)20(25)18(23(27)28)12-17(22)14-10-16(13(3)4)21(26)19(24)11-14/h10-13,24-26H,5-9H2,1-4H3,(H,27,28)