1,1,5-tris(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate

Systemtic Name: 1,1,5-tris(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate Openeye Name: 1,1,5-trioxo-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate CAS Name: 1,1,5-trioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-4-carboxylate IUPAC Name: 1,1,5-trioxo-3,4-dihydro-2H-1$l^{6}-benzothiepine-4-carboxylate Traditional Name: 1,1,5-triketo-3,4-dihydro-2H-1$l^{6}-benzothiepin-4-carboxylate Formula: C11H9O5S- MolecularWeight: 253.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=CC=CC=C2C(=O)C1C(=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C2=CC=CC=C2C(=O)C1C(=O)[O-]

InChI

InChI=1S/C11H10O5S/c12-10-7-3-1-2-4-9(7)17(15,16)6-5-8(10)11(13)14/h1-4,8H,5-6H2,(H,13,14)/p-1