6-chloranyl-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylic acid

Systemtic Name: 6-chloranyl-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylic acid Openeye Name: 6-chloro-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylic acid CAS Name: 6-chloro-2,4,4-trimethyl-1,3-benzodioxin-2-carboxylic acid IUPAC Name: 6-chloro-2,4,4-trimethyl-1,3-benzodioxine-2-carboxylic acid Traditional Name: 6-chloro-2,4,4-trimethyl-1,3-benzodioxin-2-carboxylic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)OC(O1)(C)C(=O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)OC(O1)(C)C(=O)O)C

InChI

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