12-methyl-4-(7-methyloctoxy)-5-(7-methyloctyl)-2-oxidanylidene-tridecane-2,3,4-tricarboxylate

Systemtic Name: 12-methyl-4-(7-methyloctoxy)-5-(7-methyloctyl)-2-oxidanylidene-tridecane-2,3,4-tricarboxylate Openeye Name: 12-methyl-4-(7-methyloctoxy)-5-(7-methyloctyl)-2-oxo-tridecane-2,3,4-tricarboxylate CAS Name: 12-methyl-4-(7-methyloctoxy)-5-(7-methyloctyl)-2-oxotridecane-2,3,4-tricarboxylate IUPAC Name: 12-methyl-4-(7-methyloctoxy)-5-(7-methyloctyl)-2-oxotridecane-2,3,4-tricarboxylate Traditional Name: 2-keto-12-methyl-4-(7-methyloctoxy)-5-(7-methyloctyl)tridecane-2,3,4-tricarboxylate Formula: C35H61O8-3 MolecularWeight: 609.85404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC(CCCCCCC(C)C)(C(=O)[O-])C(C(C(=O)C)C(=O)[O-])(C(=O)[O-])OCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCC(CCCCCCC(C)C)(C(=O)[O-])C(C(C(=O)C)C(=O)[O-])(C(=O)[O-])OCCCCCCC(C)C

InChI

InChI=1S/C35H64O8/c1-26(2)20-14-8-11-17-23-34(32(39)40,24-18-12-9-15-21-27(3)4)35(33(41)42,30(29(7)36)31(37)38)43-25-19-13-10-16-22-28(5)6/h26-28,30H,8-25H2,1-7H3,(H,37,38)(H,39,40)(H,41,42)/p-3