2-[3-methyl-2,3,4-tris(oxidanyl)butyl]benzoic acid

Systemtic Name: 2-[3-methyl-2,3,4-tris(oxidanyl)butyl]benzoic acid Openeye Name: 2-(2,3,4-trihydroxy-3-methyl-butyl)benzoic acid CAS Name: 2-(2,3,4-trihydroxy-3-methylbutyl)benzoic acid IUPAC Name: 2-(2,3,4-trihydroxy-3-methylbutyl)benzoic acid Traditional Name: 2-(2,3,4-trihydroxy-3-methyl-butyl)benzoic acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(CC1=CC=CC=C1C(=O)O)O)O

Isomeric SMILES

CC(CO)(C(CC1=CC=CC=C1C(=O)O)O)O

InChI

InChI=1S/C12H16O5/c1-12(17,7-13)10(14)6-8-4-2-3-5-9(8)11(15)16/h2-5,10,13-14,17H,6-7H2,1H3,(H,15,16)