(3-chloranyl-11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium; methanesulfonate

Systemtic Name: (3-chloranyl-11-oxidanylidene-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium; methanesulfonate Openeye Name: (3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ammonium; methanesulfonate CAS Name: (3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ammonium; methanesulfonate IUPAC Name: (3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium; methanesulfonate Traditional Name: (3-chloro-11-keto-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)ammonium mesylate Formula: C15H16ClNO4S2 MolecularWeight: 373.87484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)[NH3+]

Isomeric SMILES

CS(=O)(=O)[O-].C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)[NH3+]

InChI

InChI=1S/C14H12ClNOS.CH4O3S/c15-10-5-6-13-9(7-10)8-12(16)11-3-1-2-4-14(11)18(13)17;1-5(2,3)4/h1-7,12H,8,16H2;1H3,(H,2,3,4)