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

Systemtic Name: 7-chloranyl-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylic acid Openeye Name: 7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylic acid CAS Name: 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylic acid IUPAC Name: 7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-2-carboxylic acid Traditional Name: 7-chloro-2,3,4,5-tetrahydro-1-benzoxepin-2-carboxylic acid Formula: C11H11ClO3 MolecularWeight: 226.65624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC2=C(C1)C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(OC2=C(C1)C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C11H11ClO3/c12-8-4-5-9-7(6-8)2-1-3-10(15-9)11(13)14/h4-6,10H,1-3H2,(H,13,14)