1,3,5-tris[(4-nitrophenyl)methylsulfonyl]-1,3,5-triazinane

Systemtic Name: 1,3,5-tris[(4-nitrophenyl)methylsulfonyl]-1,3,5-triazinane Openeye Name: 1,3,5-tris[(4-nitrophenyl)methylsulfonyl]-1,3,5-triazinane CAS Name: 1,3,5-tris[(4-nitrophenyl)methylsulfonyl]-1,3,5-triazinane IUPAC Name: 1,3,5-tris[(4-nitrophenyl)methylsulfonyl]-1,3,5-triazinane Traditional Name: 1,3,5-tris[(4-nitrobenzyl)sulfonyl]-1,3,5-triazinane Formula: C24H24N6O12S3 MolecularWeight: 684.67536

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CN(CN1S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1N(CN(CN1S(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N6O12S3/c31-28(32)22-7-1-19(2-8-22)13-43(37,38)25-16-26(44(39,40)14-20-3-9-23(10-4-20)29(33)34)18-27(17-25)45(41,42)15-21-5-11-24(12-6-21)30(35)36/h1-12H,13-18H2