3-[(2,4,6-trinitrophenyl)amino]propyl hydrogen sulfate

Systemtic Name: 3-[(2,4,6-trinitrophenyl)amino]propyl hydrogen sulfate Openeye Name: 3-(2,4,6-trinitroanilino)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(2,4,6-trinitroanilino)propyl ester IUPAC Name: 3-(2,4,6-trinitroanilino)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(2,4,6-trinitroanilino)propyl ester Formula: C9H10N4O10S MolecularWeight: 366.2615

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCCCOS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCCCOS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N4O10S/c14-11(15)6-4-7(12(16)17)9(8(5-6)13(18)19)10-2-1-3-23-24(20,21)22/h4-5,10H,1-3H2,(H,20,21,22)