5-oxidanylidene-6H-benzo[b][1]benzothiepine-2-carboxylic acid

Systemtic Name: 5-oxidanylidene-6H-benzo[b][1]benzothiepine-2-carboxylic acid Openeye Name: 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid CAS Name: 5-oxo-6H-benzo[b][1]benzothiepin-2-carboxylic acid IUPAC Name: 5-oxo-6H-benzo[b][1]benzothiepine-2-carboxylic acid Traditional Name: 5-keto-6H-benzo[b][1]benzothiepin-2-carboxylic acid Formula: C15H10O3S MolecularWeight: 270.3031

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)C(=O)O

InChI

InChI=1S/C15H10O3S/c16-12-7-9-3-1-2-4-13(9)19-14-8-10(15(17)18)5-6-11(12)14/h1-6,8H,7H2,(H,17,18)