6-oxidanylidene-1,2-dihydrobenzo[b][4,1]benzoxathiepine-8-carboxylic acid

Systemtic Name: 6-oxidanylidene-1,2-dihydrobenzo[b][4,1]benzoxathiepine-8-carboxylic acid Openeye Name: 6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepine-8-carboxylic acid CAS Name: 6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-carboxylic acid IUPAC Name: 6-oxo-1,2-dihydrobenzo[b][4,1]benzoxathiepine-8-carboxylic acid Traditional Name: 6-keto-1,2-dihydrobenzo[b][4,1]benzoxathiepin-8-carboxylic acid Formula: C14H10O4S MolecularWeight: 274.2918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C1)OC(=O)C3=C(S2)C=CC(=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=C1)OC(=O)C3=C(S2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C14H10O4S/c15-13(16)8-5-6-11-9(7-8)14(17)18-10-3-1-2-4-12(10)19-11/h1,3,5-7H,2,4H2,(H,15,16)