7-(6-cyclohexylhexylsulfanyl)-8-oxidanyl-quinoline-5,6-dione

Systemtic Name: 7-(6-cyclohexylhexylsulfanyl)-8-oxidanyl-quinoline-5,6-dione Openeye Name: 7-(6-cyclohexylhexylsulfanyl)-8-hydroxy-quinoline-5,6-dione CAS Name: 7-(6-cyclohexylhexylthio)-8-hydroxyquinoline-5,6-dione IUPAC Name: 7-(6-cyclohexylhexylsulfanyl)-8-hydroxyquinoline-5,6-dione Traditional Name: 7-(6-cyclohexylhexylthio)-8-hydroxy-quinoline-5,6-quinone Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCCCSC2=C(C3=C(C=CC=N3)C(=O)C2=O)O

Isomeric SMILES

C1CCC(CC1)CCCCCCSC2=C(C3=C(C=CC=N3)C(=O)C2=O)O

InChI

InChI=1S/C21H27NO3S/c23-18-16-12-8-13-22-17(16)19(24)21(20(18)25)26-14-7-2-1-4-9-15-10-5-3-6-11-15/h8,12-13,15,24H,1-7,9-11,14H2