tridec-2-ynyl 4-nitrobenzoate

Systemtic Name: tridec-2-ynyl 4-nitrobenzoate Openeye Name: tridec-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid tridec-2-ynyl ester IUPAC Name: tridec-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid tridec-2-ynyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC#CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C20H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-20(22)18-13-15-19(16-14-18)21(23)24/h13-16H,2-10,17H2,1H3