(4-nitrophenyl) tridec-12-ynoate

Systemtic Name: (4-nitrophenyl) tridec-12-ynoate Openeye Name: (4-nitrophenyl) tridec-12-ynoate CAS Name: 12-tridecynoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) tridec-12-ynoate Traditional Name: tridec-12-ynoic acid (4-nitrophenyl) ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H25NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(21)24-18-15-13-17(14-16-18)20(22)23/h1,13-16H,3-12H2