tetradecyl 5-[3-nitro-4,5-bis(oxidanyl)phenyl]pentanoate

Systemtic Name: tetradecyl 5-[3-nitro-4,5-bis(oxidanyl)phenyl]pentanoate Openeye Name: tetradecyl 5-(3,4-dihydroxy-5-nitro-phenyl)pentanoate CAS Name: 5-(3,4-dihydroxy-5-nitrophenyl)pentanoic acid tetradecyl ester IUPAC Name: tetradecyl 5-(3,4-dihydroxy-5-nitrophenyl)pentanoate Traditional Name: 5-(3,4-dihydroxy-5-nitro-phenyl)valeric acid myristyl ester Formula: C25H41NO6 MolecularWeight: 451.59614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CCCCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CCCCC1=CC(=C(C(=C1)O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-32-24(28)17-14-13-16-21-19-22(26(30)31)25(29)23(27)20-21/h19-20,27,29H,2-18H2,1H3