methyl 5-butan-2-yl-2-oxidanyl-benzoate

Systemtic Name: methyl 5-butan-2-yl-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-sec-butyl-benzoate CAS Name: 5-butan-2-yl-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-butan-2-yl-2-hydroxybenzoate Traditional Name: 2-hydroxy-5-sec-butyl-benzoic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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