6,6-bis(oxidanylidene)-5,7-dihydrobenzo[d][2]benzothiepine-5,7-dicarboxylic acid

Systemtic Name: 6,6-bis(oxidanylidene)-5,7-dihydrobenzo[d][2]benzothiepine-5,7-dicarboxylic acid Openeye Name: 6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5,7-dicarboxylic acid CAS Name: 6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepin-5,7-dicarboxylic acid IUPAC Name: 6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5,7-dicarboxylic acid Traditional Name: 6,6-diketo-5,7-dihydrobenzo[d][2]benzothiepin-5,7-dicarboxylic acid Formula: C16H12O6S MolecularWeight: 332.32788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(S(=O)(=O)C(C3=CC=CC=C32)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(S(=O)(=O)C(C3=CC=CC=C32)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O6S/c17-15(18)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(16(19)20)23(13,21)22/h1-8,13-14H,(H,17,18)(H,19,20)