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5-(18-azanyl-18-oxidanylidene-octadecyl)benzene-1,3-dicarboxylic acid

5-(18-azanyl-18-oxidanylidene-octadecyl)benzene-1,3-dicarboxylic acid

Systemtic Name:5-(18-azanyl-18-oxidanylidene-octadecyl)benzene-1,3-dicarboxylic acid
Openeye Name:5-(18-amino-18-oxo-octadecyl)benzene-1,3-dicarboxylic acid
CAS Name:5-(18-amino-18-oxooctadecyl)benzene-1,3-dicarboxylic acid
IUPAC Name:5-(18-amino-18-oxooctadecyl)benzene-1,3-dicarboxylic acid
Traditional Name:5-(18-amino-18-keto-octadecyl)isophthalic acid
Formula: C26H41NO5
MolecularWeight: 447.60744
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCCC(=O)N


Isomeric SMILES

C1=C(C=C(C=C1C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCCC(=O)N


InChI

InChI=1S/C26H41NO5/c27-24(28)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-18-22(25(29)30)20-23(19-21)26(31)32/h18-20H,1-17H2,(H2,27,28)(H,29,30)(H,31,32)


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