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

Systemtic Name: 6-octadecylsulfanyl-2,3-dihydro-1,4-benzodioxine-5,8-dione Openeye Name: 6-octadecylsulfanyl-2,3-dihydro-1,4-benzodioxine-5,8-dione CAS Name: 6-(octadecylthio)-2,3-dihydro-1,4-benzodioxin-5,8-dione IUPAC Name: 6-octadecylsulfanyl-2,3-dihydro-1,4-benzodioxine-5,8-dione Traditional Name: 6-(stearylthio)-2,3-dihydro-1,4-benzodioxin-5,8-quinone Formula: C26H42O4S MolecularWeight: 450.67428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C2=C(C1=O)OCCO2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=CC(=O)C2=C(C1=O)OCCO2

InChI

InChI=1S/C26H42O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-23-21-22(27)25-26(24(23)28)30-19-18-29-25/h21H,2-20H2,1H3