[2,4,6,8-tetranitro-5-(phenylcarbonyloxy)naphthalen-1-yl] benzoate

Systemtic Name: [2,4,6,8-tetranitro-5-(phenylcarbonyloxy)naphthalen-1-yl] benzoate Openeye Name: (5-benzoyloxy-2,4,6,8-tetranitro-1-naphthyl) benzoate CAS Name: benzoic acid (5-benzoyloxy-2,4,6,8-tetranitro-1-naphthalenyl) ester IUPAC Name: (5-benzoyloxy-2,4,6,8-tetranitronaphthalen-1-yl) benzoate Traditional Name: benzoic acid (5-benzoyloxy-2,4,6,8-tetranitro-1-naphthyl) ester Formula: C24H12N4O12 MolecularWeight: 548.37168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C3=C2C(=CC(=C3OC(=O)C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C3=C2C(=CC(=C3OC(=O)C4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H12N4O12/c29-23(13-7-3-1-4-8-13)39-21-17(27(35)36)11-16(26(33)34)20-19(21)15(25(31)32)12-18(28(37)38)22(20)40-24(30)14-9-5-2-6-10-14/h1-12H