3-[3-(3-sulfonatopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonate

Systemtic Name: 3-[3-(3-sulfonatopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonate Openeye Name: 3-[3-(3-sulfonatopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonate CAS Name: 3-[[3-(3-sulfonatopropylthio)-2-quinoxalinyl]thio]-1-propanesulfonate IUPAC Name: 3-[3-(3-sulfonatopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonate Traditional Name: 3-[[3-(3-sulfonatopropylthio)quinoxalin-2-yl]thio]propane-1-sulfonate Formula: C14H16N2O6S4-2 MolecularWeight: 436.54664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-]

InChI

InChI=1S/C14H18N2O6S4/c17-25(18,19)9-3-7-23-13-14(24-8-4-10-26(20,21)22)16-12-6-2-1-5-11(12)15-13/h1-2,5-6H,3-4,7-10H2,(H,17,18,19)(H,20,21,22)/p-2