2-bromanyl-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxylic acid

Systemtic Name: 2-bromanyl-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxylic acid Openeye Name: 2-bromo-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxylic acid CAS Name: 2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-carboxylic acid IUPAC Name: 2-bromo-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxylic acid Traditional Name: 2-bromo-6,11-dihydrobenzo[c][1]benzothiepin-11-carboxylic acid Formula: C15H11BrO2S MolecularWeight: 335.21564

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(S1)C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(S1)C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C15H11BrO2S/c16-10-5-6-13-12(7-10)14(15(17)18)11-4-2-1-3-9(11)8-19-13/h1-7,14H,8H2,(H,17,18)