3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl methanesulfonate

Systemtic Name: 3-(3-chloranylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl methanesulfonate Openeye Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-(3-chloro-5-benzo[b][1]benzothiepinyl)prop-2-ynyl ester IUPAC Name: 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-(3-chlorobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl ester Formula: C18H13ClO3S2 MolecularWeight: 376.87702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)OCC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H13ClO3S2/c1-24(20,21)22-10-4-6-13-11-14-5-2-3-7-17(14)23-18-9-8-15(19)12-16(13)18/h2-3,5,7-9,11-12H,10H2,1H3