7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid

Systemtic Name: 7-chloranyl-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Openeye Name: 7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid CAS Name: 7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid IUPAC Name: 7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylic acid Traditional Name: 7-chloro-2-methyl-2,3,4,5-tetrahydro-1-benzoxepin-9-carboxylic acid Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2=C(O1)C(=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC1CCCC2=C(O1)C(=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C12H13ClO3/c1-7-3-2-4-8-5-9(13)6-10(12(14)15)11(8)16-7/h5-7H,2-4H2,1H3,(H,14,15)