5-nitro-2-(3-pentadecylphenoxy)benzoyl chloride

Systemtic Name: 5-nitro-2-(3-pentadecylphenoxy)benzoyl chloride Openeye Name: 5-nitro-2-(3-pentadecylphenoxy)benzoyl chloride CAS Name: 5-nitro-2-(3-pentadecylphenoxy)benzoyl chloride IUPAC Name: 5-nitro-2-(3-pentadecylphenoxy)benzoyl chloride Traditional Name: 5-nitro-2-(3-pentadecylphenoxy)benzoyl chloride Formula: C28H38ClNO4 MolecularWeight: 488.05862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)Cl

InChI

InChI=1S/C28H38ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-25(21-23)34-27-20-19-24(30(32)33)22-26(27)28(29)31/h15,17-22H,2-14,16H2,1H3