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

Systemtic Name: 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-1,2-dioxan-3-yl]ethanoic acid Openeye Name: 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-dioxan-3-yl]acetic acid CAS Name: 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-3-dioxanyl]acetic acid IUPAC Name: 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxydioxan-3-yl]acetic acid Traditional Name: 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-dioxan-3-yl]acetic acid Formula: C23H38O5 MolecularWeight: 394.54482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(26-2)19-17-21(27-28-23)20-22(24)25/h11-12,21H,3-10,15-20H2,1-2H3,(H,24,25)/b12-11+/t21-,23+/m0/s1