7-heptadecylsulfanyl-6,8-bis(oxidanyl)-1H-quinolin-5-one; 7-heptadecylsulfanyl-8-oxidanyl-quinoline-5,6-dione

Systemtic Name: 7-heptadecylsulfanyl-6,8-bis(oxidanyl)-1H-quinolin-5-one; 7-heptadecylsulfanyl-8-oxidanyl-quinoline-5,6-dione Openeye Name: 7-heptadecylsulfanyl-6,8-dihydroxy-1H-quinolin-5-one; 7-heptadecylsulfanyl-8-hydroxy-quinoline-5,6-dione CAS Name: 7-(heptadecylthio)-6,8-dihydroxy-1H-quinolin-5-one; 7-(heptadecylthio)-8-hydroxyquinoline-5,6-dione IUPAC Name: 7-heptadecylsulfanyl-6,8-dihydroxy-1H-quinolin-5-one; 7-heptadecylsulfanyl-8-hydroxyquinoline-5,6-dione Traditional Name: 7-(heptadecylthio)-6,8-dihydroxy-1H-quinolin-5-one; 7-(heptadecylthio)-8-hydroxy-quinoline-5,6-quinone Formula: C52H80N2O6S2 MolecularWeight: 893.3314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CNC2=C1O)O.CCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCSC1=C(C(=O)C2=CC=CNC2=C1O)O.CCCCCCCCCCCCCCCCCSC1=C(C2=C(C=CC=N2)C(=O)C1=O)O

InChI

InChI=1S/C26H41NO3S.C26H39NO3S/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-31-26-24(29)22-21(18-17-19-27-22)23(28)25(26)30/h17-19,27,29-30H,2-16,20H2,1H3;17-19,29H,2-16,20H2,1H3