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

Systemtic Name: 2-[[2,4-bis(azanyl)phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-(2,4-diaminophenyl)azo-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-(2,4-diaminophenyl)azo-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-[(2,4-diaminophenyl)diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-(2,4-diaminophenyl)azo-5-(2-sulfoxyethylsulfonyl)besylic acid Formula: C14H16N4O9S3 MolecularWeight: 480.49324

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C14H16N4O9S3/c15-9-1-3-12(11(16)7-9)17-18-13-4-2-10(8-14(13)29(21,22)23)28(19,20)6-5-27-30(24,25)26/h1-4,7-8H,5-6,15-16H2,(H,21,22,23)(H,24,25,26)