5-[[4,4-dimethyl-2-(4-octadecoxycarbonylphenoxy)-3-oxidanylidene-pentanoyl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4,4-dimethyl-2-(4-octadecoxycarbonylphenoxy)-3-oxidanylidene-pentanoyl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4,4-dimethyl-2-(4-octadecoxycarbonylphenoxy)-3-oxo-pentanoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4,4-dimethyl-2-[4-[octadecoxy(oxo)methyl]phenoxy]-1,3-dioxopentyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4,4-dimethyl-2-(4-octadecoxycarbonylphenoxy)-3-oxopentanoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-keto-4,4-dimethyl-2-(4-stearyloxycarbonylphenoxy)pentanoyl]amino]isophthalic acid Formula: C40H57NO9 MolecularWeight: 695.88188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(C(=O)C(C)(C)C)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)OC(C(=O)C(C)(C)C)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C40H57NO9/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-49-39(48)29-21-23-33(24-22-29)50-34(35(42)40(2,3)4)36(43)41-32-27-30(37(44)45)26-31(28-32)38(46)47/h21-24,26-28,34H,5-20,25H2,1-4H3,(H,41,43)(H,44,45)(H,46,47)