2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid

Systemtic Name: 2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid Openeye Name: 2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid CAS Name: 2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-9-carboxylic acid IUPAC Name: 2,2-dimethyl-4,5-dihydro-3H-1-benzoxepine-9-carboxylic acid Traditional Name: 2,2-dimethyl-4,5-dihydro-3H-1-benzoxepin-9-carboxylic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2=CC=CC(=C2O1)C(=O)O)C

Isomeric SMILES

CC1(CCCC2=CC=CC(=C2O1)C(=O)O)C

InChI

InChI=1S/C13H16O3/c1-13(2)8-4-6-9-5-3-7-10(12(14)15)11(9)16-13/h3,5,7H,4,6,8H2,1-2H3,(H,14,15)