3-ethanoyl-11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-ethanoyl-11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-acetyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-acetyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid IUPAC Name: 3-acetyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-acetyl-11,11-diketo-5,6-dihydrobenzo[b][1]benzothiepin-9-carboxylic acid Formula: C17H14O5S MolecularWeight: 330.35506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=C(CC2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)S(=O)(=O)C3=C(CC2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C17H14O5S/c1-10(18)12-6-7-15-13(8-12)4-2-11-3-5-14(17(19)20)9-16(11)23(15,21)22/h3,5-9H,2,4H2,1H3,(H,19,20)