2-butyl-9-methyl-hexadecanedioic acid

Systemtic Name: 2-butyl-9-methyl-hexadecanedioic acid Openeye Name: 2-butyl-9-methyl-hexadecanedioic acid CAS Name: 2-butyl-9-methylhexadecanedioic acid IUPAC Name: 2-butyl-9-methylhexadecanedioic acid Traditional Name: 2-butyl-9-methyl-thapsic acid Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCC(C)CCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCCCCCC(C)CCCCCCC(=O)O)C(=O)O

InChI

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