2-methylbutyl 4-[4-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]phenyl]benzoate

Systemtic Name: 2-methylbutyl 4-[4-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]phenyl]benzoate Openeye Name: 2-methylbutyl 4-[4-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydodecoxy]phenyl]benzoate CAS Name: 4-[4-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]dodecoxy]phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[4-[12-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydodecoxy]phenyl]benzoate Traditional Name: 4-[4-[12-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydodecoxy]phenyl]benzoic acid 2-methylbutyl ester Formula: C35H52O7 MolecularWeight: 584.78318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C(C)(CO)CO

Isomeric SMILES

CCC(C)COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCCCCCCCOC(=O)C(C)(CO)CO

InChI

InChI=1S/C35H52O7/c1-4-28(2)25-42-33(38)31-17-15-29(16-18-31)30-19-21-32(22-20-30)40-23-13-11-9-7-5-6-8-10-12-14-24-41-34(39)35(3,26-36)27-37/h15-22,28,36-37H,4-14,23-27H2,1-3H3