tetradecyl 5-(3,4-diacetyloxy-5-nitro-phenyl)pentanoate

Systemtic Name: tetradecyl 5-(3,4-diacetyloxy-5-nitro-phenyl)pentanoate Openeye Name: tetradecyl 5-(3,4-diacetoxy-5-nitro-phenyl)pentanoate CAS Name: 5-(3,4-diacetyloxy-5-nitrophenyl)pentanoic acid tetradecyl ester IUPAC Name: tetradecyl 5-(3,4-diacetyloxy-5-nitrophenyl)pentanoate Traditional Name: 5-(3,4-diacetoxy-5-nitro-phenyl)valeric acid myristyl ester Formula: C29H45NO8 MolecularWeight: 535.6695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45NO8/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-36-28(33)19-16-15-18-25-21-26(30(34)35)29(38-24(3)32)27(22-25)37-23(2)31/h21-22H,4-20H2,1-3H3