2-[[2-(aminocarbonylamino)-4-azanyl-phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-[[2-(aminocarbonylamino)-4-azanyl-phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-(4-amino-2-ureido-phenyl)azo-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-[4-amino-2-(carbamoylamino)phenyl]azo-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-[[4-amino-2-(carbamoylamino)phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-(4-amino-2-ureido-phenyl)azo-5-(2-sulfoxyethylsulfonyl)besylic acid Formula: C15H17N5O10S3 MolecularWeight: 523.51798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)NC(=O)N)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)NC(=O)N)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H17N5O10S3/c16-9-1-3-11(13(7-9)18-15(17)21)19-20-12-4-2-10(8-14(12)32(24,25)26)31(22,23)6-5-30-33(27,28)29/h1-4,7-8H,5-6,16H2,(H3,17,18,21)(H,24,25,26)(H,27,28,29)