12-bromanyl-N-[4-[2-(4-methanoyl-2,5-dioctoxy-phenyl)ethynyl]phenyl]dodecanamide

Systemtic Name: 12-bromanyl-N-[4-[2-(4-methanoyl-2,5-dioctoxy-phenyl)ethynyl]phenyl]dodecanamide Openeye Name: 12-bromo-N-[4-[2-(4-formyl-2,5-dioctoxy-phenyl)ethynyl]phenyl]dodecanamide CAS Name: 12-bromo-N-[4-[2-(4-formyl-2,5-dioctoxyphenyl)ethynyl]phenyl]dodecanamide IUPAC Name: 12-bromo-N-[4-[2-(4-formyl-2,5-dioctoxyphenyl)ethynyl]phenyl]dodecanamide Traditional Name: 12-bromo-N-[4-[2-(4-formyl-2,5-dioctoxy-phenyl)ethynyl]phenyl]lauramide Formula: C43H64BrNO4 MolecularWeight: 738.87656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)NC(=O)CCCCCCCCCCCBr)OCCCCCCCC)C=O

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)NC(=O)CCCCCCCCCCCBr)OCCCCCCCC)C=O

InChI

InChI=1S/C43H64BrNO4/c1-3-5-7-9-18-22-32-48-41-35-39(36-46)42(49-33-23-19-10-8-6-4-2)34-38(41)28-25-37-26-29-40(30-27-37)45-43(47)24-20-16-14-12-11-13-15-17-21-31-44/h26-27,29-30,34-36H,3-24,31-33H2,1-2H3,(H,45,47)