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

Systemtic Name: 2-azanyl-4-[[4-azanyl-2-(2-sulfoethylsulfonyl)phenyl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[4-amino-2-(2-sulfoethylsulfonyl)anilino]benzenesulfonic acid CAS Name: 2-amino-4-[4-amino-2-(2-sulfoethylsulfonyl)anilino]benzenesulfonic acid IUPAC Name: 2-amino-4-[4-amino-2-(2-sulfoethylsulfonyl)anilino]benzenesulfonic acid Traditional Name: 2-amino-4-[4-amino-2-(2-sulfoethylsulfonyl)anilino]besylic acid Formula: C14H17N3O8S3 MolecularWeight: 451.49508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O8S3/c15-9-1-3-12(14(7-9)26(18,19)5-6-27(20,21)22)17-10-2-4-13(11(16)8-10)28(23,24)25/h1-4,7-8,17H,5-6,15-16H2,(H,20,21,22)(H,23,24,25)