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

Systemtic Name: disodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-pyridin-3-yl]diazenyl]-5-(2-sulfonatooxyethylsulfonyl)benzenesulfonate Openeye Name: disodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridyl]azo]-5-(2-sulfonatooxyethylsulfonyl)benzenesulfonate CAS Name: disodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridinyl]azo]-5-(2-sulfonatooxyethylsulfonyl)benzenesulfonate IUPAC Name: disodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methylpyridin-3-yl]diazenyl]-5-(2-sulfonatooxyethylsulfonyl)benzenesulfonate Traditional Name: disodium 2-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridyl]azo]-5-(2-sulfatoethylsulfonyl)besylate Formula: C23H30N6Na2O11S3 MolecularWeight: 708.69244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O11S3.2Na/c1-16-18(15-24)22(25-8-4-10-38-2)27-23(26-9-5-11-39-3)21(16)29-28-19-7-6-17(14-20(19)42(32,33)34)41(30,31)13-12-40-43(35,36)37;;/h6-7,14H,4-5,8-13H2,1-3H3,(H2,25,26,27)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2