8-(4-methylphenyl)sulfonyloxy-5,7-dinitro-naphthalene-2-sulfonic acid

Systemtic Name: 8-(4-methylphenyl)sulfonyloxy-5,7-dinitro-naphthalene-2-sulfonic acid Openeye Name: 5,7-dinitro-8-(p-tolylsulfonyloxy)naphthalene-2-sulfonic acid CAS Name: 8-(4-methylphenyl)sulfonyloxy-5,7-dinitro-2-naphthalenesulfonic acid IUPAC Name: 8-(4-methylphenyl)sulfonyloxy-5,7-dinitronaphthalene-2-sulfonic acid Traditional Name: 5,7-dinitro-8-tosyloxy-naphthalene-2-sulfonic acid Formula: C17H12N2O10S2 MolecularWeight: 468.41458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=C2C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O10S2/c1-10-2-4-11(5-3-10)31(27,28)29-17-14-8-12(30(24,25)26)6-7-13(14)15(18(20)21)9-16(17)19(22)23/h2-9H,1H3,(H,24,25,26)