2-[[5-cyano-4-methyl-2,6-bis(3-oxidanylpropylamino)pyridin-3-yl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-[[5-cyano-4-methyl-2,6-bis(3-oxidanylpropylamino)pyridin-3-yl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-[[5-cyano-2,6-bis(3-hydroxypropylamino)-4-methyl-3-pyridyl]azo]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-[[5-cyano-2,6-bis(3-hydroxypropylamino)-4-methyl-3-pyridinyl]azo]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-[[5-cyano-2,6-bis(3-hydroxypropylamino)-4-methylpyridin-3-yl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-[[5-cyano-2,6-bis(3-hydroxypropylamino)-4-methyl-3-pyridyl]azo]-5-(2-sulfoxyethylsulfonyl)besylic acid Formula: C21H28N6O11S3 MolecularWeight: 636.67562

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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)NCCCO)NCCCO)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)NCCCO)NCCCO)C#N

InChI

InChI=1S/C21H28N6O11S3/c1-14-16(13-22)20(23-6-2-8-28)25-21(24-7-3-9-29)19(14)27-26-17-5-4-15(12-18(17)40(32,33)34)39(30,31)11-10-38-41(35,36)37/h4-5,12,28-29H,2-3,6-11H2,1H3,(H2,23,24,25)(H,32,33,34)(H,35,36,37)