2-(7-ethoxy-3,7-dimethyl-octoxy)-1,5-dinitro-3-prop-2-enyl-benzene

Systemtic Name: 2-(7-ethoxy-3,7-dimethyl-octoxy)-1,5-dinitro-3-prop-2-enyl-benzene Openeye Name: 1-allyl-2-(7-ethoxy-3,7-dimethyl-octoxy)-3,5-dinitro-benzene CAS Name: 2-(7-ethoxy-3,7-dimethyloctoxy)-1,5-dinitro-3-prop-2-enylbenzene IUPAC Name: 2-(7-ethoxy-3,7-dimethyloctoxy)-1,5-dinitro-3-prop-2-enylbenzene Traditional Name: 1-allyl-2-(7-ethoxy-3,7-dimethyl-octoxy)-3,5-dinitro-benzene Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)CCCC(C)CCOC1=C(C=C(C=C1CC=C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(C)(C)CCCC(C)CCOC1=C(C=C(C=C1CC=C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H32N2O6/c1-6-9-17-14-18(22(24)25)15-19(23(26)27)20(17)28-13-11-16(3)10-8-12-21(4,5)29-7-2/h6,14-16H,1,7-13H2,2-5H3