2-hexadecyl-3-methyl-butanedioic acid

Systemtic Name: 2-hexadecyl-3-methyl-butanedioic acid Openeye Name: 2-hexadecyl-3-methyl-butanedioic acid CAS Name: 2-hexadecyl-3-methylbutanedioic acid IUPAC Name: 2-hexadecyl-3-methylbutanedioic acid Traditional Name: 2-cetyl-3-methyl-succinic acid Formula: C21H40O4 MolecularWeight: 356.5399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h18-19H,3-17H2,1-2H3,(H,22,23)(H,24,25)