3-methyl-5-oxidanylidene-hexadecanedioic acid

Systemtic Name: 3-methyl-5-oxidanylidene-hexadecanedioic acid Openeye Name: 3-methyl-5-oxo-hexadecanedioic acid CAS Name: 3-methyl-5-oxohexadecanedioic acid IUPAC Name: 3-methyl-5-oxohexadecanedioic acid Traditional Name: 5-keto-3-methyl-thapsic acid Formula: C17H30O5 MolecularWeight: 314.4171

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)CCCCCCCCCCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CC(=O)CCCCCCCCCCC(=O)O)CC(=O)O

InChI

InChI=1S/C17H30O5/c1-14(13-17(21)22)12-15(18)10-8-6-4-2-3-5-7-9-11-16(19)20/h14H,2-13H2,1H3,(H,19,20)(H,21,22)