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

Systemtic Name: methyl 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-1,2-dioxan-3-yl]ethanoate Openeye Name: methyl 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-dioxan-3-yl]acetate CAS Name: 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-3-dioxanyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxydioxan-3-yl]acetate Traditional Name: 2-[(3S,6R)-6-[(E)-hexadec-6-en-4-ynyl]-6-methoxy-dioxan-3-yl]acetic acid methyl ester Formula: C24H40O5 MolecularWeight: 408.5714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(27-3)20-18-22(28-29-24)21-23(25)26-2/h12-13,22H,4-11,16-21H2,1-3H3/b13-12+/t22-,24+/m0/s1