5-hexylsulfanylquinoline-8-sulfonic acid

Systemtic Name: 5-hexylsulfanylquinoline-8-sulfonic acid Openeye Name: 5-hexylsulfanylquinoline-8-sulfonic acid CAS Name: 5-(hexylthio)-8-quinolinesulfonic acid IUPAC Name: 5-hexylsulfanylquinoline-8-sulfonic acid Traditional Name: 5-(hexylthio)quinoline-8-sulfonic acid Formula: C15H19NO3S2 MolecularWeight: 325.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C2C=CC=NC2=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCSC1=C2C=CC=NC2=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H19NO3S2/c1-2-3-4-5-11-20-13-8-9-14(21(17,18)19)15-12(13)7-6-10-16-15/h6-10H,2-5,11H2,1H3,(H,17,18,19)