tetradecyl 5-[3-(2,2-dimethylpropanoyloxy)-5-nitro-4-oxidanyl-phenyl]pentanoate

Systemtic Name: tetradecyl 5-[3-(2,2-dimethylpropanoyloxy)-5-nitro-4-oxidanyl-phenyl]pentanoate Openeye Name: tetradecyl 5-[3-(2,2-dimethylpropanoyloxy)-4-hydroxy-5-nitro-phenyl]pentanoate CAS Name: 5-[3-(2,2-dimethyl-1-oxopropoxy)-4-hydroxy-5-nitrophenyl]pentanoic acid tetradecyl ester IUPAC Name: tetradecyl 5-[3-(2,2-dimethylpropanoyloxy)-4-hydroxy-5-nitrophenyl]pentanoate Traditional Name: 5-(4-hydroxy-3-nitro-5-pivaloyloxy-phenyl)valeric acid myristyl ester Formula: C30H49NO7 MolecularWeight: 535.71256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49NO7/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-37-27(32)20-17-16-19-24-22-25(31(35)36)28(33)26(23-24)38-29(34)30(2,3)4/h22-23,33H,5-21H2,1-4H3