3,3,3-trinitropropyl 4-methylbenzenesulfonate

Systemtic Name: 3,3,3-trinitropropyl 4-methylbenzenesulfonate Openeye Name: 3,3,3-trinitropropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,3,3-trinitropropyl ester IUPAC Name: 3,3,3-trinitropropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,3,3-trinitropropyl ester Formula: C10H11N3O9S MolecularWeight: 349.27404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O9S/c1-8-2-4-9(5-3-8)23(20,21)22-7-6-10(11(14)15,12(16)17)13(18)19/h2-5H,6-7H2,1H3