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sodium 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate

sodium 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate

Systemtic Name:sodium 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate
Openeye Name:sodium 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate
CAS Name:sodium 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate
IUPAC Name:sodium 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate
Traditional Name:sodium 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)acetate
Formula: C16H11NaO3S
MolecularWeight: 306.31151
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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)[O-].[Na+]


Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)[O-].[Na+]


InChI

InChI=1S/C16H12O3S.Na/c17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19;/h1-7H,8-9H2,(H,17,18);/q;+1/p-1


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