5-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]isophthalic acid Formula: C35H49NO7 MolecularWeight: 595.76606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C35H49NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-43-32-21-18-17-20-30(32)31(37)26-33(38)36-29-24-27(34(39)40)23-28(25-29)35(41)42/h17-18,20-21,23-25H,2-16,19,22,26H2,1H3,(H,36,38)(H,39,40)(H,41,42)