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(7E)-2-methoxy-12-methyl-octadeca-7,17-dien-5-ynoic acid

(7E)-2-methoxy-12-methyl-octadeca-7,17-dien-5-ynoic acid

Systemtic Name:(7E)-2-methoxy-12-methyl-octadeca-7,17-dien-5-ynoic acid
Openeye Name:(7E)-2-methoxy-12-methyl-octadeca-7,17-dien-5-ynoic acid
CAS Name:(7E)-2-methoxy-12-methyloctadeca-7,17-dien-5-ynoic acid
IUPAC Name:(7E)-2-methoxy-12-methyloctadeca-7,17-dien-5-ynoic acid
Traditional Name:(7E)-2-methoxy-12-methyl-octadeca-7,17-dien-5-ynoic acid
Formula: C20H32O3
MolecularWeight: 320.46628
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H32O3/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22/h4,7-8,18-19H,1,5-6,10,12-17H2,2-3H3,(H,21,22)/b8-7+


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