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

Systemtic Name: 7-nonadecylsulfanyl-8-oxidanyl-quinoline-5,6-dione Openeye Name: 8-hydroxy-7-nonadecylsulfanyl-quinoline-5,6-dione CAS Name: 8-hydroxy-7-(nonadecylthio)quinoline-5,6-dione IUPAC Name: 8-hydroxy-7-nonadecylsulfanylquinoline-5,6-dione Traditional Name: 8-hydroxy-7-(nonadecylthio)quinoline-5,6-quinone Formula: C28H43NO3S MolecularWeight: 473.71092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

InChI

InChI=1S/C28H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-33-28-26(31)24-23(20-19-21-29-24)25(30)27(28)32/h19-21,31H,2-18,22H2,1H3