disodium 3-chloranyl-4-[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate

Systemtic Name: disodium 3-chloranyl-4-[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate Openeye Name: disodium 3-chloro-4-[4-[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methyl-benzenesulfonate CAS Name: disodium 3-chloro-4-[4-[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonate IUPAC Name: disodium 3-chloro-4-[4-[[2-methoxy-5-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonate Traditional Name: disodium 3-chloro-4-[5-keto-4-[2-methoxy-5-(2-sulfatoethylsulfonyl)phenyl]azo-3-methyl-2-pyrazolin-1-yl]-5-methyl-besylate Formula: C20H19ClN4Na2O11S3 MolecularWeight: 669.0126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])OC)Cl)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1N2C(=O)C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])OC)Cl)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H21ClN4O11S3.2Na/c1-11-8-14(38(29,30)31)9-15(21)19(11)25-20(26)18(12(2)24-25)23-22-16-10-13(4-5-17(16)35-3)37(27,28)7-6-36-39(32,33)34;;/h4-5,8-10,18H,6-7H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2