2-[(3S,6R)-6-methoxy-6-[(E)-15-oxidanylidenehexadec-6-en-4-ynyl]-1,2-dioxan-3-yl]ethanoic acid

Systemtic Name: 2-[(3S,6R)-6-methoxy-6-[(E)-15-oxidanylidenehexadec-6-en-4-ynyl]-1,2-dioxan-3-yl]ethanoic acid Openeye Name: 2-[(3S,6R)-6-methoxy-6-[(E)-15-oxohexadec-6-en-4-ynyl]dioxan-3-yl]acetic acid CAS Name: 2-[(3S,6R)-6-methoxy-6-[(E)-15-oxohexadec-6-en-4-ynyl]-3-dioxanyl]acetic acid IUPAC Name: 2-[(3S,6R)-6-methoxy-6-[(E)-15-oxohexadec-6-en-4-ynyl]dioxan-3-yl]acetic acid Traditional Name: 2-[(3S,6R)-6-[(E)-15-ketohexadec-6-en-4-ynyl]-6-methoxy-dioxan-3-yl]acetic acid Formula: C23H36O6 MolecularWeight: 408.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCC=CC#CCCCC1(CCC(OO1)CC(=O)O)OC

Isomeric SMILES

CC(=O)CCCCCCC/C=C/C#CCCC[C@@]1(CC[C@H](OO1)CC(=O)O)OC

InChI

InChI=1S/C23H36O6/c1-20(24)15-13-11-9-7-5-3-4-6-8-10-12-14-17-23(27-2)18-16-21(28-29-23)19-22(25)26/h4,6,21H,3,5,7,9,11-19H2,1-2H3,(H,25,26)/b6-4+/t21-,23+/m0/s1