(E)-20-methoxy-15-oxidanyl-20-oxidanylidene-icos-13-en-11-ynoic acid

Systemtic Name: (E)-20-methoxy-15-oxidanyl-20-oxidanylidene-icos-13-en-11-ynoic acid Openeye Name: (E)-15-hydroxy-20-methoxy-20-oxo-icos-13-en-11-ynoic acid CAS Name: (E)-15-hydroxy-20-methoxy-20-oxoeicos-13-en-11-ynoic acid IUPAC Name: (E)-15-hydroxy-20-methoxy-20-oxoicos-13-en-11-ynoic acid Traditional Name: (E)-15-hydroxy-20-keto-20-methoxy-eicos-13-en-11-ynoic acid Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(C=CC#CCCCCCCCCCC(=O)O)O

Isomeric SMILES

COC(=O)CCCCC(/C=C/C#CCCCCCCCCCC(=O)O)O

InChI

InChI=1S/C21H34O5/c1-26-21(25)18-14-13-16-19(22)15-11-9-7-5-3-2-4-6-8-10-12-17-20(23)24/h11,15,19,22H,2-6,8,10,12-14,16-18H2,1H3,(H,23,24)/b15-11+