8-[(3-nitrophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(3-nitrophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(3-nitrophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[(3-nitrophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(3-nitrophenyl)methylsulfonylamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(3-nitrobenzyl)sulfonylamino]naphthalene-1,3,6-trisulfonic acid Formula: C17H14N2O13S4 MolecularWeight: 582.55866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CS(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14N2O13S4/c20-19(21)12-3-1-2-10(4-12)9-33(22,23)18-15-7-13(34(24,25)26)5-11-6-14(35(27,28)29)8-16(17(11)15)36(30,31)32/h1-8,18H,9H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)