7-docosylsulfanyl-8-oxidanyl-quinoline-5,6-dione

Systemtic Name: 7-docosylsulfanyl-8-oxidanyl-quinoline-5,6-dione Openeye Name: 7-docosylsulfanyl-8-hydroxy-quinoline-5,6-dione CAS Name: 7-(docosylthio)-8-hydroxyquinoline-5,6-dione IUPAC Name: 7-docosylsulfanyl-8-hydroxyquinoline-5,6-dione Traditional Name: 7-(behenylthio)-8-hydroxy-quinoline-5,6-quinone Formula: C31H49NO3S MolecularWeight: 515.79066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

InChI

InChI=1S/C31H49NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-36-31-29(34)27-26(23-22-24-32-27)28(33)30(31)35/h22-24,34H,2-21,25H2,1H3