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

Systemtic Name: 5-[3,4-bis(oxidanyl)-2-propan-2-yl-phenyl]-4-hexoxy-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 5-(3,4-dihydroxy-2-isopropyl-phenyl)-4-hexoxy-2-hydroxy-3-propyl-benzoic acid CAS Name: 5-(3,4-dihydroxy-2-propan-2-ylphenyl)-4-hexoxy-2-hydroxy-3-propylbenzoic acid IUPAC Name: 5-(3,4-dihydroxy-2-propan-2-ylphenyl)-4-hexoxy-2-hydroxy-3-propylbenzoic acid Traditional Name: 5-(3,4-dihydroxy-2-isopropyl-phenyl)-4-hexoxy-2-hydroxy-3-propyl-benzoic acid Formula: C25H34O6 MolecularWeight: 430.53386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=C(C=C1C2=C(C(=C(C=C2)O)O)C(C)C)C(=O)O)O)CCC

Isomeric SMILES

CCCCCCOC1=C(C(=C(C=C1C2=C(C(=C(C=C2)O)O)C(C)C)C(=O)O)O)CCC

InChI

InChI=1S/C25H34O6/c1-5-7-8-9-13-31-24-17(10-6-2)22(27)19(25(29)30)14-18(24)16-11-12-20(26)23(28)21(16)15(3)4/h11-12,14-15,26-28H,5-10,13H2,1-4H3,(H,29,30)