6,7-bis(octadecylsulfanyl)-2,3-dihydro-1,4-benzodioxine-5,8-dione

Systemtic Name: 6,7-bis(octadecylsulfanyl)-2,3-dihydro-1,4-benzodioxine-5,8-dione Openeye Name: 6,7-bis(octadecylsulfanyl)-2,3-dihydro-1,4-benzodioxine-5,8-dione CAS Name: 6,7-bis(octadecylthio)-2,3-dihydro-1,4-benzodioxin-5,8-dione IUPAC Name: 6,7-bis(octadecylsulfanyl)-2,3-dihydro-1,4-benzodioxine-5,8-dione Traditional Name: 6,7-bis(stearylthio)-2,3-dihydro-1,4-benzodioxin-5,8-quinone Formula: C44H78O4S2 MolecularWeight: 735.21772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H78O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-49-43-39(45)41-42(48-36-35-47-41)40(46)44(43)50-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3