7-ethanoyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid

Systemtic Name: 7-ethanoyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid Openeye Name: 7-acetyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid CAS Name: 7-acetyl-3,4-dihydro-2H-1,5-benzoxathiepin-9-carboxylic acid IUPAC Name: 7-acetyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid Traditional Name: 7-acetyl-3,4-dihydro-2H-1,5-benzoxathiepin-9-carboxylic acid Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C2C(=C1)SCCCO2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C2C(=C1)SCCCO2)C(=O)O

InChI

InChI=1S/C12H12O4S/c1-7(13)8-5-9(12(14)15)11-10(6-8)17-4-2-3-16-11/h5-6H,2-4H2,1H3,(H,14,15)