5-tert-butyl-3-(chloromethyl)cyclohexa-1,4-diene-1,3-dicarboxylic acid

Systemtic Name: 5-tert-butyl-3-(chloromethyl)cyclohexa-1,4-diene-1,3-dicarboxylic acid Openeye Name: 5-tert-butyl-3-(chloromethyl)cyclohexa-1,4-diene-1,3-dicarboxylic acid CAS Name: 5-tert-butyl-3-(chloromethyl)cyclohexa-1,4-diene-1,3-dicarboxylic acid IUPAC Name: 5-tert-butyl-3-(chloromethyl)cyclohexa-1,4-diene-1,3-dicarboxylic acid Traditional Name: 5-tert-butyl-3-(chloromethyl)cyclohexa-1,4-diene-1,3-dicarboxylic acid Formula: C13H17ClO4 MolecularWeight: 272.72468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(C=C(C1)C(=O)O)(CCl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(C=C(C1)C(=O)O)(CCl)C(=O)O

InChI

InChI=1S/C13H17ClO4/c1-12(2,3)9-4-8(10(15)16)5-13(6-9,7-14)11(17)18/h5-6H,4,7H2,1-3H3,(H,15,16)(H,17,18)