2-azanyl-4-[[4-cyano-1-(2-hydroxyphenyl)-5-oxidanylidene-3-(sulfomethyl)pyrrolidin-2-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[[4-cyano-1-(2-hydroxyphenyl)-5-oxidanylidene-3-(sulfomethyl)pyrrolidin-2-yl]diazenyl]benzenesulfonic acid Openeye Name: 2-amino-4-[4-cyano-1-(2-hydroxyphenyl)-5-oxo-3-(sulfomethyl)pyrrolidin-2-yl]azo-benzenesulfonic acid CAS Name: 2-amino-4-[[4-cyano-1-(2-hydroxyphenyl)-5-oxo-3-(sulfomethyl)-2-pyrrolidinyl]azo]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-cyano-1-(2-hydroxyphenyl)-5-oxo-3-(sulfomethyl)pyrrolidin-2-yl]diazenyl]benzenesulfonic acid Traditional Name: 2-amino-4-[4-cyano-1-(2-hydroxyphenyl)-5-keto-3-(sulfomethyl)pyrrolidin-2-yl]azo-besylic acid Formula: C18H17N5O8S2 MolecularWeight: 495.48628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(C(C(C2=O)C#N)CS(=O)(=O)O)N=NC3=CC(=C(C=C3)S(=O)(=O)O)N)O

Isomeric SMILES

C1=CC=C(C(=C1)N2C(C(C(C2=O)C#N)CS(=O)(=O)O)N=NC3=CC(=C(C=C3)S(=O)(=O)O)N)O

InChI

InChI=1S/C18H17N5O8S2/c19-8-11-12(9-32(26,27)28)17(23(18(11)25)14-3-1-2-4-15(14)24)22-21-10-5-6-16(13(20)7-10)33(29,30)31/h1-7,11-12,17,24H,9,20H2,(H,26,27,28)(H,29,30,31)