methyl 3-butan-2-yl-4-oxidanyl-benzoate

Systemtic Name: methyl 3-butan-2-yl-4-oxidanyl-benzoate Openeye Name: methyl 4-hydroxy-3-sec-butyl-benzoate CAS Name: 3-butan-2-yl-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-butan-2-yl-4-hydroxybenzoate Traditional Name: 4-hydroxy-3-sec-butyl-benzoic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-4-8(2)10-7-9(12(14)15-3)5-6-11(10)13/h5-8,13H,4H2,1-3H3