ethyl (4S,5R,6E,8Z)-4-[(E)-but-1-enyl]-5-oxidanyl-pentadeca-6,8-dienoate

Systemtic Name: ethyl (4S,5R,6E,8Z)-4-[(E)-but-1-enyl]-5-oxidanyl-pentadeca-6,8-dienoate Openeye Name: ethyl (4S,5R,6E,8Z)-4-[(E)-but-1-enyl]-5-hydroxy-pentadeca-6,8-dienoate CAS Name: (4S,5R,6E,8Z)-4-[(E)-but-1-enyl]-5-hydroxypentadeca-6,8-dienoic acid ethyl ester IUPAC Name: ethyl (4S,5R,6E,8Z)-4-[(E)-but-1-enyl]-5-hydroxypentadeca-6,8-dienoate Traditional Name: (4S,5R,6E,8Z)-4-[(E)-but-1-enyl]-5-hydroxy-pentadeca-6,8-dienoic acid ethyl ester Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC=CC(C(CCC(=O)OCC)C=CCC)O

Isomeric SMILES

CCCCCC/C=C\C=C\[C@H]([C@@H](CCC(=O)OCC)/C=C/CC)O

InChI

InChI=1S/C21H36O3/c1-4-7-9-10-11-12-13-14-16-20(22)19(15-8-5-2)17-18-21(23)24-6-3/h8,12-16,19-20,22H,4-7,9-11,17-18H2,1-3H3/b13-12-,15-8+,16-14+/t19-,20-/m1/s1