(13E,30E)-23-(16-methylheptadecoxycarbonyl)nonatriaconta-13,30-dienoic acid

Systemtic Name: (13E,30E)-23-(16-methylheptadecoxycarbonyl)nonatriaconta-13,30-dienoic acid Openeye Name: (13E,30E)-23-(16-methylheptadecoxycarbonyl)nonatriaconta-13,30-dienoic acid CAS Name: (13E,30E)-23-[16-methylheptadecoxy(oxo)methyl]nonatriaconta-13,30-dienoic acid IUPAC Name: (13E,30E)-23-(16-methylheptadecoxycarbonyl)nonatriaconta-13,30-dienoic acid Traditional Name: (13E,30E)-23-(16-methylheptadecoxycarbonyl)nonatriaconta-13,30-dienoic acid Formula: C58H110O4 MolecularWeight: 871.4916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCCCCCCCC=CCCCCCCCCCCCC(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O)C(=O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C58H110O4/c1-4-5-6-7-8-9-10-11-21-26-31-36-41-46-51-56(58(61)62-54-49-44-39-34-29-24-19-20-25-30-35-40-45-50-55(2)3)52-47-42-37-32-27-22-17-15-13-12-14-16-18-23-28-33-38-43-48-53-57(59)60/h11,13,15,21,55-56H,4-10,12,14,16-20,22-54H2,1-3H3,(H,59,60)/b15-13+,21-11+