8-sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Systemtic Name: 8-sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Openeye Name: 8-sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid CAS Name: 8-mercapto-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid IUPAC Name: 8-sulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Traditional Name: 8-mercapto-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)S)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)S)C(=O)O)OC1

InChI

InChI=1S/C10H10O4S/c11-10(12)7-4-6(15)5-8-9(7)14-3-1-2-13-8/h4-5,15H,1-3H2,(H,11,12)