[3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dinitrophenyl)methanesulfinate

Systemtic Name: [3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dinitrophenyl)methanesulfinate Openeye Name: [3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dinitrophenyl)methanesulfinate CAS Name: (2,6-dinitrophenyl)methanesulfinic acid [3-[(2,6-dinitrophenyl)methyl]phenoxy] ester IUPAC Name: [3-[(2,6-dinitrophenyl)methyl]phenoxy] (2,6-dinitrophenyl)methanesulfinate Traditional Name: (2,6-dinitrophenyl)methanesulfinic acid [3-(2,6-dinitrobenzyl)phenoxy] ester Formula: C20H14N4O11S MolecularWeight: 518.41036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OOS(=O)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])CC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OOS(=O)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-])CC3=C(C=CC=C3[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O11S/c25-21(26)17-6-2-7-18(22(27)28)15(17)11-13-4-1-5-14(10-13)34-35-36(33)12-16-19(23(29)30)8-3-9-20(16)24(31)32/h1-10H,11-12H2