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

Systemtic Name: 7-dodecylsulfanyl-8-oxidanyl-quinoline-5,6-dione Openeye Name: 7-dodecylsulfanyl-8-hydroxy-quinoline-5,6-dione CAS Name: 7-(dodecylthio)-8-hydroxyquinoline-5,6-dione IUPAC Name: 7-dodecylsulfanyl-8-hydroxyquinoline-5,6-dione Traditional Name: 8-hydroxy-7-(laurylthio)quinoline-5,6-quinone Formula: C21H29NO3S MolecularWeight: 375.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

InChI

InChI=1S/C21H29NO3S/c1-2-3-4-5-6-7-8-9-10-11-15-26-21-19(24)17-16(13-12-14-22-17)18(23)20(21)25/h12-14,24H,2-11,15H2,1H3