(2-methoxy-12-methyl-octadec-17-en-5-ynoyl) 2-methoxy-12-methyl-octadec-17-en-5-ynoate

Systemtic Name: (2-methoxy-12-methyl-octadec-17-en-5-ynoyl) 2-methoxy-12-methyl-octadec-17-en-5-ynoate Openeye Name: (2-methoxy-12-methyl-octadec-17-en-5-ynoyl) 2-methoxy-12-methyl-octadec-17-en-5-ynoate CAS Name: 2-methoxy-12-methyloctadec-17-en-5-ynoic acid (2-methoxy-12-methyl-1-oxooctadec-17-en-5-ynyl) ester IUPAC Name: (2-methoxy-12-methyloctadec-17-en-5-ynoyl) 2-methoxy-12-methyloctadec-17-en-5-ynoate Traditional Name: 2-methoxy-12-methyl-octadec-17-en-5-ynoic acid (2-methoxy-12-methyl-octadec-17-en-5-ynoyl) ester Formula: C40H66O5 MolecularWeight: 626.94904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H66O5/c1-7-9-11-23-29-35(3)31-25-19-15-13-17-21-27-33-37(43-5)39(41)45-40(42)38(44-6)34-28-22-18-14-16-20-26-32-36(4)30-24-12-10-8-2/h7-8,35-38H,1-2,9-16,19-20,23-34H2,3-6H3