2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl ethanoate

Systemtic Name: 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl ethanoate Openeye Name: 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl acetate CAS Name: acetic acid 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl ester IUPAC Name: 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl acetate Traditional Name: acetic acid 2-(5,7-dihydrobenzo[d][2]benzothiepin-6-ium-6-yl)ethyl ester Formula: C18H19O2S+ MolecularWeight: 299.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[S+]1CC2=CC=CC=C2C3=CC=CC=C3C1

Isomeric SMILES

CC(=O)OCC[S+]1CC2=CC=CC=C2C3=CC=CC=C3C1

InChI

InChI=1S/C18H19O2S/c1-14(19)20-10-11-21-12-15-6-2-4-8-17(15)18-9-5-3-7-16(18)13-21/h2-9H,10-13H2,1H3/q+1