7,9-dimethyl-2-oxidanylidene-3H-1-benzoxepine-5-carboxylic acid

Systemtic Name: 7,9-dimethyl-2-oxidanylidene-3H-1-benzoxepine-5-carboxylic acid Openeye Name: 7,9-dimethyl-2-oxo-3H-1-benzoxepine-5-carboxylic acid CAS Name: 7,9-dimethyl-2-oxo-3H-1-benzoxepin-5-carboxylic acid IUPAC Name: 7,9-dimethyl-2-oxo-3H-1-benzoxepine-5-carboxylic acid Traditional Name: 2-keto-7,9-dimethyl-3H-1-benzoxepin-5-carboxylic acid Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CCC(=O)O2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CCC(=O)O2)C(=O)O)C

InChI

InChI=1S/C13H12O4/c1-7-5-8(2)12-10(6-7)9(13(15)16)3-4-11(14)17-12/h3,5-6H,4H2,1-2H3,(H,15,16)