3-chloranyl-4-[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonic acid

Systemtic Name: 3-chloranyl-4-[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-5-methyl-benzenesulfonic acid Openeye Name: 3-chloro-4-[4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methyl-benzenesulfonic acid CAS Name: 3-chloro-4-[4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonic acid IUPAC Name: 3-chloro-4-[4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-5-methylbenzenesulfonic acid Traditional Name: 3-chloro-4-[5-keto-4-[2-methoxy-5-(2-sulfoxyethylsulfonyl)phenyl]azo-3-methyl-2-pyrazolin-1-yl]-5-methyl-besylic acid Formula: C20H21ClN4O11S3 MolecularWeight: 625.04894

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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

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

InChI

InChI=1S/C20H21ClN4O11S3/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)