11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine iodide

Systemtic Name: 11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine iodide Openeye Name: 11-(1-methyltetrahydrothiopyran-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine iodide CAS Name: 11-(1-methyl-4-thian-1-iumylidene)-6H-benzo[c][1]benzothiepin iodide IUPAC Name: 11-(1-methylthian-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepine iodide Traditional Name: 11-(1-methyltetrahydrothiopyran-1-ium-4-ylidene)-6H-benzo[c][1]benzothiepin iodide Formula: C20H21IS2 MolecularWeight: 452.41521

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CCC(=C2C3=CC=CC=C3CSC4=CC=CC=C42)CC1.[I-]

Isomeric SMILES

C[S+]1CCC(=C2C3=CC=CC=C3CSC4=CC=CC=C42)CC1.[I-]

InChI

InChI=1S/C20H21S2.HI/c1-22-12-10-15(11-13-22)20-17-7-3-2-6-16(17)14-21-19-9-5-4-8-18(19)20;/h2-9H,10-14H2,1H3;1H/q+1;/p-1