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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31)Cl

Isomeric SMILES

C1C(C2=C(C=CC(=C2)C(=O)O)SC3=CC=CC=C31)Cl

InChI

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