3-[[3-(3-sulfonatopropylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]propane-1-sulfonate

Systemtic Name: 3-[[3-(3-sulfonatopropylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]propane-1-sulfonate Openeye Name: 3-[[3-(3-sulfonatopropylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]propane-1-sulfonate CAS Name: 3-[[3-(3-sulfonatopropylthio)-1,2,3,4-tetrahydroquinoxalin-2-yl]thio]-1-propanesulfonate IUPAC Name: 3-[[3-(3-sulfonatopropylsulfanyl)-1,2,3,4-tetrahydroquinoxalin-2-yl]sulfanyl]propane-1-sulfonate Traditional Name: 3-[[3-(3-sulfonatopropylthio)-1,2,3,4-tetrahydroquinoxalin-2-yl]thio]propane-1-sulfonate Formula: C14H20N2O6S4-2 MolecularWeight: 440.5784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O6S4/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/h1-2,5-6,13-16H,3-4,7-10H2,(H,17,18,19)(H,20,21,22)/p-2