[5,6-bis(oxidanyl)-2H-pyran-4-yl] 6-chloranyl-4,4-dimethyl-1,3-benzodioxine-2-carboxylate

Systemtic Name: [5,6-bis(oxidanyl)-2H-pyran-4-yl] 6-chloranyl-4,4-dimethyl-1,3-benzodioxine-2-carboxylate Openeye Name: (5,6-dihydroxy-2H-pyran-4-yl) 6-chloro-4,4-dimethyl-1,3-benzodioxine-2-carboxylate CAS Name: 6-chloro-4,4-dimethyl-1,3-benzodioxin-2-carboxylic acid (5,6-dihydroxy-2H-pyran-4-yl) ester IUPAC Name: (5,6-dihydroxy-2H-pyran-4-yl) 6-chloro-4,4-dimethyl-1,3-benzodioxine-2-carboxylate Traditional Name: 6-chloro-4,4-dimethyl-1,3-benzodioxin-2-carboxylic acid (5,6-dihydroxy-2H-pyran-4-yl) ester Formula: C16H15ClO7 MolecularWeight: 354.7391

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)OC3=CCOC(=C3O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)OC3=CCOC(=C3O)O)C

InChI

InChI=1S/C16H15ClO7/c1-16(2)9-7-8(17)3-4-10(9)23-15(24-16)14(20)22-11-5-6-21-13(19)12(11)18/h3-5,7,15,18-19H,6H2,1-2H3