6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]oxyhexyl 3,5-dinitrobenzoate

Systemtic Name: 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]oxyhexyl 3,5-dinitrobenzoate Openeye Name: 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoyl]oxyhexyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 6-[(E)-3-(4-butoxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]hexyl ester IUPAC Name: 6-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]oxyhexyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 6-[(E)-3-(4-butoxy-3-methoxy-phenyl)acryloyl]oxyhexyl ester Formula: C27H32N2O10 MolecularWeight: 544.55038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCCCCCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C27H32N2O10/c1-3-4-13-37-24-11-9-20(16-25(24)36-2)10-12-26(30)38-14-7-5-6-8-15-39-27(31)21-17-22(28(32)33)19-23(18-21)29(34)35/h9-12,16-19H,3-8,13-15H2,1-2H3/b12-10+