(2,4-dinitronaphthalen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,4-dinitronaphthalen-1-yl) 4-methylbenzenesulfonate Openeye Name: (2,4-dinitro-1-naphthyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,4-dinitro-1-naphthalenyl) ester IUPAC Name: (2,4-dinitronaphthalen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,4-dinitro-1-naphthyl) ester Formula: C17H12N2O7S MolecularWeight: 388.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O7S/c1-11-6-8-12(9-7-11)27(24,25)26-17-14-5-3-2-4-13(14)15(18(20)21)10-16(17)19(22)23/h2-10H,1H3