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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C1)C(=O)O)OC(=O)C3=CC=CC=C3S2

Isomeric SMILES

C1CC2=C(C(=C1)C(=O)O)OC(=O)C3=CC=CC=C3S2

InChI

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