11-methyl-2-(8-methylnonoxy)-3-(8-methylnonyl)dodecane-1,2,3-tricarboxylic acid

Systemtic Name: 11-methyl-2-(8-methylnonoxy)-3-(8-methylnonyl)dodecane-1,2,3-tricarboxylic acid Openeye Name: 11-methyl-2-(8-methylnonoxy)-3-(8-methylnonyl)dodecane-1,2,3-tricarboxylic acid CAS Name: 11-methyl-2-(8-methylnonoxy)-3-(8-methylnonyl)dodecane-1,2,3-tricarboxylic acid IUPAC Name: 11-methyl-2-(8-methylnonoxy)-3-(8-methylnonyl)dodecane-1,2,3-tricarboxylic acid Traditional Name: 11-methyl-2-(8-methylnonoxy)-3-(8-methylnonyl)dodecane-1,2,3-tricarboxylic acid Formula: C36H68O7 MolecularWeight: 612.92092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCC(CCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCC(CCCCCCCC(C)C)(C(=O)O)C(CC(=O)O)(C(=O)O)OCCCCCCCC(C)C

InChI

InChI=1S/C36H68O7/c1-29(2)22-16-10-7-13-19-25-35(33(39)40,26-20-14-8-11-17-23-30(3)4)36(34(41)42,28-32(37)38)43-27-21-15-9-12-18-24-31(5)6/h29-31H,7-28H2,1-6H3,(H,37,38)(H,39,40)(H,41,42)