4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitro-benzenesulfonic acid; sodium

Systemtic Name: 4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitro-benzenesulfonic acid; sodium Openeye Name: 4-methoxy-2-nitro-5-(p-tolylsulfonylamino)benzenesulfonic acid; sodium CAS Name: 4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitrobenzenesulfonic acid; sodium IUPAC Name: 4-methoxy-5-[(4-methylphenyl)sulfonylamino]-2-nitrobenzenesulfonic acid; sodium Traditional Name: 4-methoxy-2-nitro-5-(tosylamino)besylic acid; sodium Formula: C14H14N2NaO8S2 MolecularWeight: 425.38933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)O.[Na]

InChI

InChI=1S/C14H14N2O8S2.Na/c1-9-3-5-10(6-4-9)25(19,20)15-11-7-14(26(21,22)23)12(16(17)18)8-13(11)24-2;/h3-8,15H,1-2H3,(H,21,22,23);