3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid

Systemtic Name: 3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Openeye Name: 3-chloro-5,6-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid CAS Name: 3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-carboxylic acid IUPAC Name: 3-chloro-5,6-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Traditional Name: 3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-carboxylic acid Formula: C15H11ClO2S MolecularWeight: 290.76464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C15H11ClO2S/c16-10-5-6-13-9(7-10)8-12(15(17)18)11-3-1-2-4-14(11)19-13/h1-7,12H,8H2,(H,17,18)