methyl (8R,9S,11E,13E)-8-iodanyl-9,15-bis(oxidanyl)icosa-11,13-dien-5-ynoate

Systemtic Name: methyl (8R,9S,11E,13E)-8-iodanyl-9,15-bis(oxidanyl)icosa-11,13-dien-5-ynoate Openeye Name: methyl (8R,9S,11E,13E)-9,15-dihydroxy-8-iodo-icosa-11,13-dien-5-ynoate CAS Name: (8R,9S,11E,13E)-9,15-dihydroxy-8-iodoeicosa-11,13-dien-5-ynoic acid methyl ester IUPAC Name: methyl (8R,9S,11E,13E)-9,15-dihydroxy-8-iodoicosa-11,13-dien-5-ynoate Traditional Name: (8R,9S,11E,13E)-9,15-dihydroxy-8-iodo-eicosa-11,13-dien-5-ynoic acid methyl ester Formula: C21H33IO4 MolecularWeight: 476.38879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC=CCC(C(CC#CCCCC(=O)OC)I)O)O

Isomeric SMILES

CCCCCC(/C=C/C=C/C[C@@H]([C@@H](CC#CCCCC(=O)OC)I)O)O

InChI

InChI=1S/C21H33IO4/c1-3-4-8-13-18(23)14-9-7-11-16-20(24)19(22)15-10-5-6-12-17-21(25)26-2/h7,9,11,14,18-20,23-24H,3-4,6,8,12-13,15-17H2,1-2H3/b11-7+,14-9+/t18?,19-,20+/m1/s1