disodium 4-(4-methyl-1H-pyrazin-2-yl)heptane-1,7-disulfonate

Systemtic Name: disodium 4-(4-methyl-1H-pyrazin-2-yl)heptane-1,7-disulfonate Openeye Name: disodium 4-(4-methyl-1H-pyrazin-2-yl)heptane-1,7-disulfonate CAS Name: disodium 4-(4-methyl-1H-pyrazin-2-yl)heptane-1,7-disulfonate IUPAC Name: disodium 4-(4-methyl-1H-pyrazin-2-yl)heptane-1,7-disulfonate Traditional Name: disodium 4-(4-methyl-1H-pyrazin-2-yl)heptane-1,7-disulfonate Formula: C12H20N2Na2O6S2 MolecularWeight: 398.40654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CNC(=C1)C(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CN1C=CNC(=C1)C(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H22N2O6S2.2Na/c1-14-7-6-13-12(10-14)11(4-2-8-21(15,16)17)5-3-9-22(18,19)20;;/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2