3-chloranyl-2,2-dimethyl-butanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 3-chloranyl-2,2-dimethyl-butanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 3-chloro-2,2-dimethyl-butanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 3-chloro-2,2-dimethylbutanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 3-chloro-2,2-dimethylbutanoate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 3-chloro-2,2-dimethyl-butyrate; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C12H14ClO3- MolecularWeight: 241.69076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C(=O)[O-])Cl.C1=CC2=CC=C1O2

Isomeric SMILES

CC(C(C)(C)C(=O)[O-])Cl.C1=CC2=CC=C1O2

InChI

InChI=1S/C6H11ClO2.C6H4O/c1-4(7)6(2,3)5(8)9;1-2-6-4-3-5(1)7-6/h4H,1-3H3,(H,8,9);1-4H/p-1