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

Systemtic Name: (4-butoxy-2,3-dinitro-phenyl) 4-heptoxybenzoate Openeye Name: (4-butoxy-2,3-dinitro-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (4-butoxy-2,3-dinitrophenyl) ester IUPAC Name: (4-butoxy-2,3-dinitrophenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-butoxy-2,3-dinitro-phenyl) ester Formula: C24H30N2O8 MolecularWeight: 474.5036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H30N2O8/c1-3-5-7-8-9-17-32-19-12-10-18(11-13-19)24(27)34-21-15-14-20(33-16-6-4-2)22(25(28)29)23(21)26(30)31/h10-15H,3-9,16-17H2,1-2H3