(2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoic acid

Systemtic Name: (2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoic acid Openeye Name: (2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoic acid CAS Name: (2S)-2-methoxy-12-methyloctadec-17-en-5-ynoic acid IUPAC Name: (2S)-2-methoxy-12-methyloctadec-17-en-5-ynoic acid Traditional Name: (2S)-2-methoxy-12-methyl-octadec-17-en-5-ynoic acid Formula: C20H34O3 MolecularWeight: 322.48216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCC#CCCC(C(=O)O)OC)CCCCC=C

Isomeric SMILES

CC(CCCCCC#CCC[C@@H](C(=O)O)OC)CCCCC=C

InChI

InChI=1S/C20H34O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,18-19H,1,5-8,10,12-17H2,2-3H3,(H,21,22)/t18?,19-/m0/s1