4-chloranyl-11-methyl-6H-benzo[c][1]benzoxepine-11-carboxylic acid

Systemtic Name: 4-chloranyl-11-methyl-6H-benzo[c][1]benzoxepine-11-carboxylic acid Openeye Name: 4-chloro-11-methyl-6H-benzo[c][1]benzoxepine-11-carboxylic acid CAS Name: 4-chloro-11-methyl-6H-benzo[c][1]benzoxepin-11-carboxylic acid IUPAC Name: 4-chloro-11-methyl-6H-benzo[c][1]benzoxepine-11-carboxylic acid Traditional Name: 4-chloro-11-methyl-6H-benzo[c][1]benzoxepin-11-carboxylic acid Formula: C16H13ClO3 MolecularWeight: 288.72562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)Cl)OCC3=CC=CC=C31)C(=O)O

Isomeric SMILES

CC1(C2=C(C(=CC=C2)Cl)OCC3=CC=CC=C31)C(=O)O

InChI

InChI=1S/C16H13ClO3/c1-16(15(18)19)11-6-3-2-5-10(11)9-20-14-12(16)7-4-8-13(14)17/h2-8H,9H2,1H3,(H,18,19)