phenyl 4-[(E)-2-nitroethenyl]hexadecanoate

Systemtic Name: phenyl 4-[(E)-2-nitroethenyl]hexadecanoate Openeye Name: phenyl 4-[(E)-2-nitrovinyl]hexadecanoate CAS Name: 4-[(E)-2-nitroethenyl]hexadecanoic acid phenyl ester IUPAC Name: phenyl 4-[(E)-2-nitroethenyl]hexadecanoate Traditional Name: (E)-4-lauryl-6-nitro-hex-5-enoic acid phenyl ester Formula: C24H37NO4 MolecularWeight: 403.55488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC(=O)OC1=CC=CC=C1)C=C[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCC(=O)OC1=CC=CC=C1)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C24H37NO4/c1-2-3-4-5-6-7-8-9-10-12-15-22(20-21-25(27)28)18-19-24(26)29-23-16-13-11-14-17-23/h11,13-14,16-17,20-22H,2-10,12,15,18-19H2,1H3/b21-20+