sodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-pyridin-3-yl]diazenyl]-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-pyridin-3-yl]diazenyl]-5-nitro-benzenesulfonate Openeye Name: sodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridyl]azo]-5-nitro-benzenesulfonate CAS Name: sodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridinyl]azo]-5-nitrobenzenesulfonate IUPAC Name: sodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methylpyridin-3-yl]diazenyl]-5-nitrobenzenesulfonate Traditional Name: sodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridyl]azo]-5-nitro-besylate Formula: C21H26N7NaO7S MolecularWeight: 543.52861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])NCCCOC)NCCCOC)C#N.[Na+]

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])NCCCOC)NCCCOC)C#N.[Na+]

InChI

InChI=1S/C21H27N7O7S.Na/c1-14-16(13-22)20(23-8-4-10-34-2)25-21(24-9-5-11-35-3)19(14)27-26-17-7-6-15(28(29)30)12-18(17)36(31,32)33;/h6-7,12H,4-5,8-11H2,1-3H3,(H2,23,24,25)(H,31,32,33);/q;+1/p-1