2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoate

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoate Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetate IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetate Formula: C11H11O4S- MolecularWeight: 239.26764

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)[O-])OC1

InChI

InChI=1S/C11H12O4S/c12-11(13)7-16-8-2-3-9-10(6-8)15-5-1-4-14-9/h2-3,6H,1,4-5,7H2,(H,12,13)/p-1