(2S,4R,13R)-13-ethyl-2,4-dimethyl-9-oxidanylidene-hexadec-14-ynoic acid

Systemtic Name: (2S,4R,13R)-13-ethyl-2,4-dimethyl-9-oxidanylidene-hexadec-14-ynoic acid Openeye Name: (2S,4R,13R)-13-ethyl-2,4-dimethyl-9-oxo-hexadec-14-ynoic acid CAS Name: (2S,4R,13R)-13-ethyl-2,4-dimethyl-9-oxo-14-hexadecynoic acid IUPAC Name: (2S,4R,13R)-13-ethyl-2,4-dimethyl-9-oxohexadec-14-ynoic acid Traditional Name: (2S,4R,13R)-13-ethyl-9-keto-2,4-dimethyl-hexadec-14-ynoic acid Formula: C20H34O3 MolecularWeight: 322.48216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC(=O)CCCCC(C)CC(C)C(=O)O)C#CC

Isomeric SMILES

CC[C@H](CCCC(=O)CCCC[C@@H](C)C[C@H](C)C(=O)O)C#CC

InChI

InChI=1S/C20H34O3/c1-5-10-18(6-2)12-9-14-19(21)13-8-7-11-16(3)15-17(4)20(22)23/h16-18H,6-9,11-15H2,1-4H3,(H,22,23)/t16-,17+,18+/m1/s1