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

Systemtic Name: 5-[[2-chloranyl-3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-chloro-3-(2-octadecoxyphenyl)-3-oxo-propanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-chloro-3-(2-octadecoxyphenyl)-1,3-dioxopropyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-chloro-3-(2-octadecoxyphenyl)-3-oxopropanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-chloro-3-keto-3-(2-stearyloxyphenyl)propanoyl]amino]isophthalic acid Formula: C35H48ClNO7 MolecularWeight: 630.21112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48ClNO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-44-30-21-18-17-20-29(30)32(38)31(36)33(39)37-28-24-26(34(40)41)23-27(25-28)35(42)43/h17-18,20-21,23-25,31H,2-16,19,22H2,1H3,(H,37,39)(H,40,41)(H,42,43)