methyl 3-[3-methyl-2,3-bis(oxidanyl)butyl]-4-oxidanyl-benzoate

Systemtic Name: methyl 3-[3-methyl-2,3-bis(oxidanyl)butyl]-4-oxidanyl-benzoate Openeye Name: methyl 3-(2,3-dihydroxy-3-methyl-butyl)-4-hydroxy-benzoate CAS Name: 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate Traditional Name: 3-(2,3-dihydroxy-3-methyl-butyl)-4-hydroxy-benzoic acid methyl ester Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CC1=C(C=CC(=C1)C(=O)OC)O)O)O

Isomeric SMILES

CC(C)(C(CC1=C(C=CC(=C1)C(=O)OC)O)O)O

InChI

InChI=1S/C13H18O5/c1-13(2,17)11(15)7-9-6-8(12(16)18-3)4-5-10(9)14/h4-6,11,14-15,17H,7H2,1-3H3