methyl (5Z,8Z,10S,11S,12S)-10,11,12-tris(oxidanyl)icosa-5,8-dien-14-ynoate

Systemtic Name: methyl (5Z,8Z,10S,11S,12S)-10,11,12-tris(oxidanyl)icosa-5,8-dien-14-ynoate Openeye Name: methyl (5Z,8Z,10S,11S,12S)-10,11,12-trihydroxyicosa-5,8-dien-14-ynoate CAS Name: (5Z,8Z,10S,11S,12S)-10,11,12-trihydroxyeicosa-5,8-dien-14-ynoic acid methyl ester IUPAC Name: methyl (5Z,8Z,10S,11S,12S)-10,11,12-trihydroxyicosa-5,8-dien-14-ynoate Traditional Name: (5Z,8Z,10S,11S,12S)-10,11,12-trihydroxyeicosa-5,8-dien-14-ynoic acid methyl ester Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(C(C(C=CCC=CCCCC(=O)OC)O)O)O

Isomeric SMILES

CCCCCC#CC[C@@H]([C@@H]([C@H](/C=C\C/C=C\CCCC(=O)OC)O)O)O

InChI

InChI=1S/C21H34O5/c1-3-4-5-6-9-12-15-18(22)21(25)19(23)16-13-10-7-8-11-14-17-20(24)26-2/h7-8,13,16,18-19,21-23,25H,3-6,10-11,14-15,17H2,1-2H3/b8-7-,16-13-/t18-,19-,21-/m0/s1