8-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[3-[(3-nitrophenyl)sulfonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[3-[(3-nitrophenyl)sulfonylamino]benzyl]sulfonylamino]naphthalene-1,3,5-trisulfonic acid Formula: C23H19N3O15S5 MolecularWeight: 737.73306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CS(=O)(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])CS(=O)(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C23H19N3O15S5/c27-26(28)16-5-2-6-17(10-16)43(31,32)24-15-4-1-3-14(9-15)13-42(29,30)25-20-7-8-21(45(36,37)38)19-11-18(44(33,34)35)12-22(23(19)20)46(39,40)41/h1-12,24-25H,13H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)