6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide

Systemtic Name: 6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide Openeye Name: 6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide CAS Name: 6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide IUPAC Name: 6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide Traditional Name: 6-methyl-5,7-dihydrobenzo[d][2]benzothiepin-6-ium iodide Formula: C15H15IS MolecularWeight: 354.24907

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CC2=CC=CC=C2C3=CC=CC=C3C1.[I-]

Isomeric SMILES

C[S+]1CC2=CC=CC=C2C3=CC=CC=C3C1.[I-]

InChI

InChI=1S/C15H15S.HI/c1-16-10-12-6-2-4-8-14(12)15-9-5-3-7-13(15)11-16;/h2-9H,10-11H2,1H3;1H/q+1;/p-1