3-chloranyl-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid

Systemtic Name: 3-chloranyl-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Openeye Name: 3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid CAS Name: 3-chloro-1,2-dihydrobenzo[b][1]benzothiepin-6-carboxylic acid IUPAC Name: 3-chloro-1,2-dihydrobenzo[b][1]benzothiepine-6-carboxylic acid Traditional Name: 3-chloro-1,2-dihydrobenzo[b][1]benzothiepin-6-carboxylic acid Formula: C15H11ClO2S MolecularWeight: 290.76464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1Cl)C=C(C3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1CC2=C(C=C1Cl)C=C(C3=CC=CC=C3S2)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/h1-4,7-8H,5-6H2,(H,17,18)