2-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Systemtic Name: 2-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Openeye Name: 2-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid CAS Name: 2-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid IUPAC Name: 2-methyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Traditional Name: 2-methyl-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid Formula: C11H12O4 MolecularWeight: 208.21058

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCOC2=C(C=CC=C2O1)C(=O)O

Isomeric SMILES

CC1CCOC2=C(C=CC=C2O1)C(=O)O

InChI

InChI=1S/C11H12O4/c1-7-5-6-14-10-8(11(12)13)3-2-4-9(10)15-7/h2-4,7H,5-6H2,1H3,(H,12,13)