(8E,10E,14E)-16-methoxy-16-methyl-6,7-bis(oxidanyl)henicosa-8,10,14-trien-12-yn-2-one

Systemtic Name: (8E,10E,14E)-16-methoxy-16-methyl-6,7-bis(oxidanyl)henicosa-8,10,14-trien-12-yn-2-one Openeye Name: (8E,10E,14E)-6,7-dihydroxy-16-methoxy-16-methyl-henicosa-8,10,14-trien-12-yn-2-one CAS Name: (8E,10E,14E)-6,7-dihydroxy-16-methoxy-16-methyl-2-heneicosa-8,10,14-trien-12-ynone IUPAC Name: (8E,10E,14E)-6,7-dihydroxy-16-methoxy-16-methylhenicosa-8,10,14-trien-12-yn-2-one Traditional Name: (8E,10E,14E)-6,7-dihydroxy-16-methoxy-16-methyl-heneicosa-8,10,14-trien-12-yn-2-one Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(C)(/C=C/C#C/C=C/C=C/C(C(CCCC(=O)C)O)O)OC

InChI

InChI=1S/C23H36O4/c1-5-6-12-18-23(3,27-4)19-13-10-8-7-9-11-16-21(25)22(26)17-14-15-20(2)24/h7,9,11,13,16,19,21-22,25-26H,5-6,12,14-15,17-18H2,1-4H3/b9-7+,16-11+,19-13+