3-acetyloxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid

Systemtic Name: 3-acetyloxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid Openeye Name: 3-acetoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid CAS Name: 3-acetyloxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6,8-dicarboxylic acid IUPAC Name: 3-acetyloxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylic acid Traditional Name: 3-acetoxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6,8-dicarboxylic acid Formula: C11H10O8S MolecularWeight: 302.2573

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC2=C(SC(=C2OC1)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OC1COC2=C(SC(=C2OC1)C(=O)O)C(=O)O

InChI

InChI=1S/C11H10O8S/c1-4(12)19-5-2-17-6-7(18-3-5)9(11(15)16)20-8(6)10(13)14/h5H,2-3H2,1H3,(H,13,14)(H,15,16)