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

Systemtic Name: 7-octadecylsulfanyl-8-oxidanyl-quinoline-5,6-dione Openeye Name: 8-hydroxy-7-octadecylsulfanyl-quinoline-5,6-dione CAS Name: 8-hydroxy-7-(octadecylthio)quinoline-5,6-dione IUPAC Name: 8-hydroxy-7-octadecylsulfanylquinoline-5,6-dione Traditional Name: 8-hydroxy-7-(stearylthio)quinoline-5,6-quinone Formula: C27H41NO3S MolecularWeight: 459.68434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

InChI

InChI=1S/C27H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-27-25(30)23-22(19-18-20-28-23)24(29)26(27)31/h18-20,30H,2-17,21H2,1H3