8-[[3-[(4-nitro-2-sulfo-phenyl)carbonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[[3-[(4-nitro-2-sulfo-phenyl)carbonylamino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[[3-[(4-nitro-2-sulfo-benzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[3-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[[3-[(4-nitro-2-sulfobenzoyl)amino]phenyl]methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[[3-[(4-nitro-2-sulfo-benzoyl)amino]benzyl]sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C24H19N3O17S5 MolecularWeight: 781.74256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)CS(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)CS(=O)(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C24H19N3O17S5/c28-24(19-5-4-16(27(29)30)9-21(19)48(39,40)41)25-15-3-1-2-13(6-15)12-45(31,32)26-20-10-17(46(33,34)35)7-14-8-18(47(36,37)38)11-22(23(14)20)49(42,43)44/h1-11,26H,12H2,(H,25,28)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)