3-methylidene-5-oxidanylidene-hexadecanedioic acid

Systemtic Name: 3-methylidene-5-oxidanylidene-hexadecanedioic acid Openeye Name: 3-methylene-5-oxo-hexadecanedioic acid CAS Name: 3-methylene-5-oxohexadecanedioic acid IUPAC Name: 3-methylidene-5-oxohexadecanedioic acid Traditional Name: 5-keto-3-methylene-thapsic acid Formula: C17H28O5 MolecularWeight: 312.40122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O5/c1-14(13-17(21)22)12-15(18)10-8-6-4-2-3-5-7-9-11-16(19)20/h1-13H2,(H,19,20)(H,21,22)