dipotassium 4-azanyl-2-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate

Systemtic Name: dipotassium 4-azanyl-2-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate Openeye Name: dipotassium 4-amino-2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-benzenesulfonate CAS Name: dipotassium 4-amino-2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-[4-(2-sulfonatooxyethylsulfonyl)phenyl]azobenzenesulfonate IUPAC Name: dipotassium 4-amino-2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonate Traditional Name: dipotassium 4-amino-2-[(4,6-dichloro-s-triazin-2-yl)amino]-5-[4-(2-sulfatoethylsulfonyl)phenyl]azo-besylate Formula: C17H13Cl2K2N7O9S3 MolecularWeight: 704.62422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=CC(=C(C=C2N)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2N)NC3=NC(=NC(=N3)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C17H15Cl2N7O9S3.2K/c18-15-22-16(19)24-17(23-15)21-13-7-11(20)12(8-14(13)37(29,30)31)26-25-9-1-3-10(4-2-9)36(27,28)6-5-35-38(32,33)34;;/h1-4,7-8H,5-6,20H2,(H,29,30,31)(H,32,33,34)(H,21,22,23,24);;/q;2*+1/p-2