3-[2-decoxy-5-(3-nitrophenyl)carbonyl-phenyl]propanoic acid

Systemtic Name: 3-[2-decoxy-5-(3-nitrophenyl)carbonyl-phenyl]propanoic acid Openeye Name: 3-[2-decoxy-5-(3-nitrobenzoyl)phenyl]propanoic acid CAS Name: 3-[2-decoxy-5-[(3-nitrophenyl)-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[2-decoxy-5-(3-nitrobenzoyl)phenyl]propanoic acid Traditional Name: 3-[2-decoxy-5-(3-nitrobenzoyl)phenyl]propionic acid Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO6/c1-2-3-4-5-6-7-8-9-17-33-24-15-13-22(18-20(24)14-16-25(28)29)26(30)21-11-10-12-23(19-21)27(31)32/h10-13,15,18-19H,2-9,14,16-17H2,1H3,(H,28,29)