2-octoxy-3-octyl-4-(phenoxymethyl)tridecane-1,2,3-tricarboxylic acid

Systemtic Name: 2-octoxy-3-octyl-4-(phenoxymethyl)tridecane-1,2,3-tricarboxylic acid Openeye Name: 2-octoxy-3-octyl-4-(phenoxymethyl)tridecane-1,2,3-tricarboxylic acid CAS Name: 2-octoxy-3-octyl-4-(phenoxymethyl)tridecane-1,2,3-tricarboxylic acid IUPAC Name: 2-octoxy-3-octyl-4-(phenoxymethyl)tridecane-1,2,3-tricarboxylic acid Traditional Name: 2-octoxy-3-octyl-4-(phenoxymethyl)tridecane-1,2,3-tricarboxylic acid Formula: C39H66O8 MolecularWeight: 662.93654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(COC1=CC=CC=C1)C(CCCCCCCC)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCC(COC1=CC=CC=C1)C(CCCCCCCC)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCC

InChI

InChI=1S/C39H66O8/c1-4-7-10-13-16-17-21-26-33(32-46-34-27-22-20-23-28-34)38(36(42)43,29-24-18-14-11-8-5-2)39(37(44)45,31-35(40)41)47-30-25-19-15-12-9-6-3/h20,22-23,27-28,33H,4-19,21,24-26,29-32H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)