dimethyl 5-tert-butyl-1-(chloromethyl)-2-oxidanyl-cyclohexa-3,5-diene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-tert-butyl-1-(chloromethyl)-2-oxidanyl-cyclohexa-3,5-diene-1,3-dicarboxylate Openeye Name: dimethyl 5-tert-butyl-1-(chloromethyl)-2-hydroxy-cyclohexa-3,5-diene-1,3-dicarboxylate CAS Name: 5-tert-butyl-1-(chloromethyl)-2-hydroxycyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-tert-butyl-1-(chloromethyl)-2-hydroxycyclohexa-3,5-diene-1,3-dicarboxylate Traditional Name: 5-tert-butyl-1-(chloromethyl)-2-hydroxy-cyclohexa-3,5-diene-1,3-dicarboxylic acid dimethyl ester Formula: C15H21ClO5 MolecularWeight: 316.77724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO5/c1-14(2,3)9-6-10(12(18)20-4)11(17)15(7-9,8-16)13(19)21-5/h6-7,11,17H,8H2,1-5H3