2-methylbutyl 4-[4-[12-[2-(hydroxymethyl)-4-oxidanyl-butanoyl]oxydodecoxy]phenyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52O7/c1-3-28(2)27-42-34(38)31-16-14-29(15-17-31)30-18-20-33(21-19-30)40-24-12-10-8-6-4-5-7-9-11-13-25-41-35(39)32(26-37)22-23-36/h14-21,28,32,36-37H,3-13,22-27H2,1-2H3