2-chloranyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Openeye Name: 4-tert-butoxycarbonyl-2-chloro-benzoic acid CAS Name: 2-chloro-4-[(2-methylpropan-2-yl)oxy-oxomethyl]benzoic acid IUPAC Name: 2-chloro-4-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid Traditional Name: 4-tert-butoxycarbonyl-2-chloro-benzoic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO4/c1-12(2,3)17-11(16)7-4-5-8(10(14)15)9(13)6-7/h4-6H,1-3H3,(H,14,15)