6-octylsulfanyl-2,3-dihydro-1,4-benzodioxine-5,8-dione

Systemtic Name: 6-octylsulfanyl-2,3-dihydro-1,4-benzodioxine-5,8-dione Openeye Name: 6-octylsulfanyl-2,3-dihydro-1,4-benzodioxine-5,8-dione CAS Name: 6-(octylthio)-2,3-dihydro-1,4-benzodioxin-5,8-dione IUPAC Name: 6-octylsulfanyl-2,3-dihydro-1,4-benzodioxine-5,8-dione Traditional Name: 6-(octylthio)-2,3-dihydro-1,4-benzodioxin-5,8-quinone Formula: C16H22O4S MolecularWeight: 310.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC(=O)C2=C(C1=O)OCCO2

Isomeric SMILES

CCCCCCCCSC1=CC(=O)C2=C(C1=O)OCCO2

InChI

InChI=1S/C16H22O4S/c1-2-3-4-5-6-7-10-21-13-11-12(17)15-16(14(13)18)20-9-8-19-15/h11H,2-10H2,1H3