potassium 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate

Systemtic Name: potassium 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)ethanoate Openeye Name: potassium 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate CAS Name: potassium 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate IUPAC Name: potassium 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate Traditional Name: potassium 2-(5,6-dihydrobenzo[b][1]benzothiepin-3-yl)acetate Formula: C16H13KO2S MolecularWeight: 308.43652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)CC(=O)[O-])SC3=CC=CC=C31.[K+]

Isomeric SMILES

C1CC2=C(C=CC(=C2)CC(=O)[O-])SC3=CC=CC=C31.[K+]

InChI

InChI=1S/C16H14O2S.K/c17-16(18)10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)19-15;/h1-5,8-9H,6-7,10H2,(H,17,18);/q;+1/p-1