2-azanyl-5-[[[4-azanyl-2-(2-sulfoethylsulfonyl)phenyl]amino]methyl]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[[[4-azanyl-2-(2-sulfoethylsulfonyl)phenyl]amino]methyl]benzenesulfonic acid Openeye Name: 2-amino-5-[[4-amino-2-(2-sulfoethylsulfonyl)anilino]methyl]benzenesulfonic acid CAS Name: 2-amino-5-[[4-amino-2-(2-sulfoethylsulfonyl)anilino]methyl]benzenesulfonic acid IUPAC Name: 2-amino-5-[[4-amino-2-(2-sulfoethylsulfonyl)anilino]methyl]benzenesulfonic acid Traditional Name: 2-amino-5-[[4-amino-2-(2-sulfoethylsulfonyl)anilino]methyl]besylic acid Formula: C15H19N3O8S3 MolecularWeight: 465.52166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C(C=C(C=C2)N)S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C15H19N3O8S3/c16-11-2-4-13(15(8-11)27(19,20)5-6-28(21,22)23)18-9-10-1-3-12(17)14(7-10)29(24,25)26/h1-4,7-8,18H,5-6,9,16-17H2,(H,21,22,23)(H,24,25,26)