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

Systemtic Name: 1,3,5-tris[(3-nitrophenyl)sulfonyl]-1,3,5-triazinane Openeye Name: 1,3,5-tris[(3-nitrophenyl)sulfonyl]-1,3,5-triazinane CAS Name: 1,3,5-tris[(3-nitrophenyl)sulfonyl]-1,3,5-triazinane IUPAC Name: 1,3,5-tris[(3-nitrophenyl)sulfonyl]-1,3,5-triazinane Traditional Name: 1,3,5-tris[(3-nitrophenyl)sulfonyl]-1,3,5-triazinane Formula: C21H18N6O12S3 MolecularWeight: 642.59562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O12S3/c28-25(29)16-4-1-7-19(10-16)40(34,35)22-13-23(41(36,37)20-8-2-5-17(11-20)26(30)31)15-24(14-22)42(38,39)21-9-3-6-18(12-21)27(32)33/h1-12H,13-15H2