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3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-benzoic acid

3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-benzoic acid

Systemtic Name:3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-benzoic acid
Openeye Name:3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxy-benzoic acid
CAS Name:3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxybenzoic acid
IUPAC Name:3-[3-(3-nitrophenoxy)propoxy]-5-octadecoxybenzoic acid
Traditional Name:3-[3-(3-nitrophenoxy)propoxy]-5-stearyloxy-benzoic acid
Formula: C34H51NO7
MolecularWeight: 585.77124
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCOC2=CC=CC(=C2)[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCOC2=CC=CC(=C2)[N+](=O)[O-]


InChI

InChI=1S/C34H51NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-41-32-25-29(34(36)37)26-33(28-32)42-24-19-23-40-31-21-18-20-30(27-31)35(38)39/h18,20-21,25-28H,2-17,19,22-24H2,1H3,(H,36,37)


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