prop-2-enyl 4-[3-(4-decoxyphenoxy)-2-oxidanyl-propoxy]-3-nitro-benzoate

Systemtic Name: prop-2-enyl 4-[3-(4-decoxyphenoxy)-2-oxidanyl-propoxy]-3-nitro-benzoate Openeye Name: allyl 4-[3-(4-decoxyphenoxy)-2-hydroxy-propoxy]-3-nitro-benzoate CAS Name: 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]-3-nitrobenzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[3-(4-decoxyphenoxy)-2-hydroxypropoxy]-3-nitrobenzoate Traditional Name: 4-[3-(4-decoxyphenoxy)-2-hydroxy-propoxy]-3-nitro-benzoic acid allyl ester Formula: C29H39NO8 MolecularWeight: 529.62186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OCC(COC2=C(C=C(C=C2)C(=O)OCC=C)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OCC(COC2=C(C=C(C=C2)C(=O)OCC=C)[N+](=O)[O-])O

InChI

InChI=1S/C29H39NO8/c1-3-5-6-7-8-9-10-11-19-35-25-13-15-26(16-14-25)37-21-24(31)22-38-28-17-12-23(20-27(28)30(33)34)29(32)36-18-4-2/h4,12-17,20,24,31H,2-3,5-11,18-19,21-22H2,1H3