3-[3-(3-sulfopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonic acid

Systemtic Name: 3-[3-(3-sulfopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonic acid Openeye Name: 3-[3-(3-sulfopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonic acid CAS Name: 3-[[3-(3-sulfopropylthio)-2-quinoxalinyl]thio]-1-propanesulfonic acid IUPAC Name: 3-[3-(3-sulfopropylsulfanyl)quinoxalin-2-yl]sulfanylpropane-1-sulfonic acid Traditional Name: 3-[[3-(3-sulfopropylthio)quinoxalin-2-yl]thio]propane-1-sulfonic acid Formula: C14H18N2O6S4 MolecularWeight: 438.56252

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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)