5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-[2-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-sulfo-phenyl]ethyl]benzenesulfonic acid

Systemtic Name: 5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-[2-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-sulfo-phenyl]ethyl]benzenesulfonic acid Openeye Name: 5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-[2-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-sulfo-phenyl]ethyl]benzenesulfonic acid CAS Name: 5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-[2-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-sulfophenyl]ethyl]benzenesulfonic acid IUPAC Name: 5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-[2-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-sulfophenyl]ethyl]benzenesulfonic acid Traditional Name: 5-[(7-nitrobenzofurazan-4-yl)amino]-2-[2-[4-[(7-nitrobenzofurazan-4-yl)amino]-2-sulfo-phenyl]ethyl]besylic acid Formula: C26H18N8O12S2 MolecularWeight: 698.59752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=CC=C(C3=NON=C23)[N+](=O)[O-])S(=O)(=O)O)CCC4=C(C=C(C=C4)NC5=CC=C(C6=NON=C56)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=CC=C(C3=NON=C23)[N+](=O)[O-])S(=O)(=O)O)CCC4=C(C=C(C=C4)NC5=CC=C(C6=NON=C56)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C26H18N8O12S2/c35-33(36)19-9-7-17(23-25(19)31-45-29-23)27-15-5-3-13(21(11-15)47(39,40)41)1-2-14-4-6-16(12-22(14)48(42,43)44)28-18-8-10-20(34(37)38)26-24(18)30-46-32-26/h3-12,27-28H,1-2H2,(H,39,40,41)(H,42,43,44)