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4-[3-(4-decoxyphenoxy)-2-oxidanylidene-propoxy]-3-nitro-benzoic acid

4-[3-(4-decoxyphenoxy)-2-oxidanylidene-propoxy]-3-nitro-benzoic acid

Systemtic Name:4-[3-(4-decoxyphenoxy)-2-oxidanylidene-propoxy]-3-nitro-benzoic acid
Openeye Name:4-[3-(4-decoxyphenoxy)-2-oxo-propoxy]-3-nitro-benzoic acid
CAS Name:4-[3-(4-decoxyphenoxy)-2-oxopropoxy]-3-nitrobenzoic acid
IUPAC Name:4-[3-(4-decoxyphenoxy)-2-oxopropoxy]-3-nitrobenzoic acid
Traditional Name:4-[3-(4-decoxyphenoxy)-2-keto-propoxy]-3-nitro-benzoic acid
Formula: C26H33NO8
MolecularWeight: 487.54212
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H33NO8/c1-2-3-4-5-6-7-8-9-16-33-22-11-13-23(14-12-22)34-18-21(28)19-35-25-15-10-20(26(29)30)17-24(25)27(31)32/h10-15,17H,2-9,16,18-19H2,1H3,(H,29,30)


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