methyl 8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate

Systemtic Name: methyl 8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate Openeye Name: methyl 8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate CAS Name: 8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid methyl ester IUPAC Name: methyl 8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylate Traditional Name: 8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C(=O)OC)OCCCO2

Isomeric SMILES

CC1=CC2=C(C(=C1)C(=O)OC)OCCCO2

InChI

InChI=1S/C12H14O4/c1-8-6-9(12(13)14-2)11-10(7-8)15-4-3-5-16-11/h6-7H,3-5H2,1-2H3