sodium 2-benzo[b][1]benzothiepin-3-ylethanoate

Systemtic Name: sodium 2-benzo[b][1]benzothiepin-3-ylethanoate Openeye Name: sodium 2-benzo[b][1]benzothiepin-3-ylacetate CAS Name: sodium 2-(3-benzo[b][1]benzothiepinyl)acetate IUPAC Name: sodium 2-benzo[b][1]benzothiepin-3-ylacetate Traditional Name: sodium 2-benzo[b][1]benzothiepin-3-ylacetate Formula: C16H11NaO2S MolecularWeight: 290.31211

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(S2)C=CC(=C3)CC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(S2)C=CC(=C3)CC(=O)[O-].[Na+]

InChI

InChI=1S/C16H12O2S.Na/c17-16(18)10-11-5-8-15-13(9-11)7-6-12-3-1-2-4-14(12)19-15;/h1-9H,10H2,(H,17,18);/q;+1/p-1