3-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzenesulfonic acid

Systemtic Name: 3-[(5-methyl-8-nitro-6-oxidanyl-naphthalen-2-yl)sulfonylamino]benzenesulfonic acid Openeye Name: 3-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]benzenesulfonic acid CAS Name: 3-[(6-hydroxy-5-methyl-8-nitro-2-naphthalenyl)sulfonylamino]benzenesulfonic acid IUPAC Name: 3-[(6-hydroxy-5-methyl-8-nitronaphthalen-2-yl)sulfonylamino]benzenesulfonic acid Traditional Name: 3-[(6-hydroxy-5-methyl-8-nitro-2-naphthyl)sulfonylamino]besylic acid Formula: C17H14N2O8S2 MolecularWeight: 438.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C=C(C2=C1C=CC(=C2)S(=O)(=O)NC3=CC(=CC=C3)S(=O)(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N2O8S2/c1-10-14-6-5-12(8-15(14)16(19(21)22)9-17(10)20)28(23,24)18-11-3-2-4-13(7-11)29(25,26)27/h2-9,18,20H,1H3,(H,25,26,27)