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

Systemtic Name: 2-azanyl-5-[[4-nitro-2-(2-sulfoethylsulfonyl)phenyl]amino]benzenesulfonic acid Openeye Name: 2-amino-5-[4-nitro-2-(2-sulfoethylsulfonyl)anilino]benzenesulfonic acid CAS Name: 2-amino-5-[4-nitro-2-(2-sulfoethylsulfonyl)anilino]benzenesulfonic acid IUPAC Name: 2-amino-5-[4-nitro-2-(2-sulfoethylsulfonyl)anilino]benzenesulfonic acid Traditional Name: 2-amino-5-[4-nitro-2-(2-sulfoethylsulfonyl)anilino]besylic acid Formula: C14H15N3O10S3 MolecularWeight: 481.478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)CCS(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C14H15N3O10S3/c15-11-3-1-9(7-13(11)30(25,26)27)16-12-4-2-10(17(18)19)8-14(12)28(20,21)5-6-29(22,23)24/h1-4,7-8,16H,5-6,15H2,(H,22,23,24)(H,25,26,27)