8-[(2,5-dimethyl-4-nitro-phenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(2,5-dimethyl-4-nitro-phenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(2,5-dimethyl-4-nitro-phenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[(2,5-dimethyl-4-nitrophenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(2,5-dimethyl-4-nitrophenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(2,5-dimethyl-4-nitro-phenyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C18H16N2O13S4 MolecularWeight: 596.58524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O13S4/c1-9-4-16(10(2)3-15(9)20(21)22)34(23,24)19-14-7-12(35(25,26)27)5-11-6-13(36(28,29)30)8-17(18(11)14)37(31,32)33/h3-8,19H,1-2H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)