3-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]-2-(phenylcarbonyloxy)benzoate

Systemtic Name: 3-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]-2-(phenylcarbonyloxy)benzoate Openeye Name: 2-benzoyloxy-3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydodecoxy]benzoate CAS Name: 2-benzoyloxy-3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]dodecoxy]benzoate IUPAC Name: 2-benzoyloxy-3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydodecoxy]benzoate Traditional Name: 2-benzoyloxy-3-[12-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydodecoxy]benzoate Formula: C31H41O9- MolecularWeight: 557.65184

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C31H42O9/c1-31(22-32,23-33)30(37)39-21-14-9-7-5-3-2-4-6-8-13-20-38-26-19-15-18-25(28(34)35)27(26)40-29(36)24-16-11-10-12-17-24/h10-12,15-19,32-33H,2-9,13-14,20-23H2,1H3,(H,34,35)/p-1