11-[3,5-bis(oxidanyl)phenyl]carbonyloxyundecyl 3,5-dinitrobenzoate

Systemtic Name: 11-[3,5-bis(oxidanyl)phenyl]carbonyloxyundecyl 3,5-dinitrobenzoate Openeye Name: 11-(3,5-dihydroxybenzoyl)oxyundecyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 11-[(3,5-dihydroxyphenyl)-oxomethoxy]undecyl ester IUPAC Name: 11-(3,5-dihydroxybenzoyl)oxyundecyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 11-(3,5-dihydroxybenzoyl)oxyundecyl ester Formula: C25H30N2O10 MolecularWeight: 518.5131

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCCCCCCCCCOC(=O)C2=CC(=CC(=C2)O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCCCCCCCCCCCOC(=O)C2=CC(=CC(=C2)O)O

InChI

InChI=1S/C25H30N2O10/c28-22-14-19(15-23(29)17-22)25(31)37-11-9-7-5-3-1-2-4-6-8-10-36-24(30)18-12-20(26(32)33)16-21(13-18)27(34)35/h12-17,28-29H,1-11H2