(4-butoxy-2,3-dinitro-phenyl) 4-heptylbenzoate

Systemtic Name: (4-butoxy-2,3-dinitro-phenyl) 4-heptylbenzoate Openeye Name: (4-butoxy-2,3-dinitro-phenyl) 4-heptylbenzoate CAS Name: 4-heptylbenzoic acid (4-butoxy-2,3-dinitrophenyl) ester IUPAC Name: (4-butoxy-2,3-dinitrophenyl) 4-heptylbenzoate Traditional Name: 4-heptylbenzoic acid (4-butoxy-2,3-dinitro-phenyl) ester Formula: C24H30N2O7 MolecularWeight: 458.5042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O7/c1-3-5-7-8-9-10-18-11-13-19(14-12-18)24(27)33-21-16-15-20(32-17-6-4-2)22(25(28)29)23(21)26(30)31/h11-16H,3-10,17H2,1-2H3