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

Systemtic Name: 8-[(2-methyl-4-nitro-phenyl)sulfonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(2-methyl-4-nitro-phenyl)sulfonylamino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[(2-methyl-4-nitrophenyl)sulfonylamino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(2-methyl-4-nitrophenyl)sulfonylamino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(2-methyl-4-nitro-phenyl)sulfonylamino]naphthalene-1,3,5-trisulfonic acid Formula: C17H14N2O13S4 MolecularWeight: 582.55866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14N2O13S4/c1-9-6-10(19(20)21)2-4-14(9)33(22,23)18-13-3-5-15(35(27,28)29)12-7-11(34(24,25)26)8-16(17(12)13)36(30,31)32/h2-8,18H,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32)