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

Systemtic Name: 7-heptadecylsulfanyl-8-oxidanyl-quinoline-5,6-dione Openeye Name: 7-heptadecylsulfanyl-8-hydroxy-quinoline-5,6-dione CAS Name: 7-(heptadecylthio)-8-hydroxyquinoline-5,6-dione IUPAC Name: 7-heptadecylsulfanyl-8-hydroxyquinoline-5,6-dione Traditional Name: 7-(heptadecylthio)-8-hydroxy-quinoline-5,6-quinone Formula: C26H39NO3S MolecularWeight: 445.65776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

InChI

InChI=1S/C26H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26-24(29)22-21(18-17-19-27-22)23(28)25(26)30/h17-19,29H,2-16,20H2,1H3