(4-octan-2-yloxycarbonylphenyl) 4-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]benzoate

Systemtic Name: (4-octan-2-yloxycarbonylphenyl) 4-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]benzoate Openeye Name: [4-(1-methylheptoxycarbonyl)phenyl] 4-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydodecoxy]benzoate CAS Name: 4-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]dodecoxy]benzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 4-[12-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydodecoxy]benzoate Traditional Name: 4-[12-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydodecoxy]benzoic acid [4-(1-methylheptoxycarbonyl)phenyl] ester Formula: C39H58O9 MolecularWeight: 670.87242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C(C)(CO)CO

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C(C)(CO)CO

InChI

InChI=1S/C39H58O9/c1-4-5-6-15-18-31(2)47-36(42)32-21-25-35(26-22-32)48-37(43)33-19-23-34(24-20-33)45-27-16-13-11-9-7-8-10-12-14-17-28-46-38(44)39(3,29-40)30-41/h19-26,31,40-41H,4-18,27-30H2,1-3H3