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

Systemtic Name: calcium 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanoate Openeye Name: calcium 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate CAS Name: calcium 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate IUPAC Name: calcium 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetate Traditional Name: calcium 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)acetate Formula: C32H22CaO6S2 MolecularWeight: 606.72148

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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-].C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)[O-].[Ca+2]

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)[O-].C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C16H12O3S.Ca/c2*17-15(18)8-10-5-6-13-14(7-10)20-9-11-3-1-2-4-12(11)16(13)19;/h2*1-7H,8-9H2,(H,17,18);/q;;+2/p-2