3-butoxy-2-(3-tert-butylphenyl)-4,5,6-tris(oxidanyl)benzoic acid

Systemtic Name: 3-butoxy-2-(3-tert-butylphenyl)-4,5,6-tris(oxidanyl)benzoic acid Openeye Name: 3-butoxy-2-(3-tert-butylphenyl)-4,5,6-trihydroxy-benzoic acid CAS Name: 3-butoxy-2-(3-tert-butylphenyl)-4,5,6-trihydroxybenzoic acid IUPAC Name: 3-butoxy-2-(3-tert-butylphenyl)-4,5,6-trihydroxybenzoic acid Traditional Name: 3-butoxy-2-(3-tert-butylphenyl)-4,5,6-trihydroxy-benzoic acid Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O6/c1-5-6-10-27-19-14(12-8-7-9-13(11-12)21(2,3)4)15(20(25)26)16(22)17(23)18(19)24/h7-9,11,22-24H,5-6,10H2,1-4H3,(H,25,26)