diethyl hexanedioate; 5-nitrobenzene-1,3-dicarboxylic acid

Systemtic Name: diethyl hexanedioate; 5-nitrobenzene-1,3-dicarboxylic acid Openeye Name: diethyl hexanedioate; 5-nitrobenzene-1,3-dicarboxylic acid CAS Name: hexanedioic acid diethyl ester; 5-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: diethyl hexanedioate; 5-nitrobenzene-1,3-dicarboxylic acid Traditional Name: adipic acid diethyl ester; 5-nitroisophthalic acid Formula: C18H23NO10 MolecularWeight: 413.37592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)OCC.C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)CCCCC(=O)OCC.C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H18O4.C8H5NO6/c1-3-13-9(11)7-5-6-8-10(12)14-4-2;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-8H2,1-2H3;1-3H,(H,10,11)(H,12,13)