3-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]-2-(4-phenylphenyl)carbonyloxy-benzoate

Systemtic Name: 3-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]-2-(4-phenylphenyl)carbonyloxy-benzoate Openeye Name: 3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydodecoxy]-2-(4-phenylbenzoyl)oxy-benzoate CAS Name: 3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]dodecoxy]-2-[oxo-(4-phenylphenyl)methoxy]benzoate IUPAC Name: 3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydodecoxy]-2-(4-phenylbenzoyl)oxybenzoate Traditional Name: 3-[12-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydodecoxy]-2-(4-phenylbenzoyl)oxy-benzoate Formula: C37H45O9- MolecularWeight: 633.7478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CC(=C1OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C37H46O9/c1-37(26-38,27-39)36(43)45-25-14-9-7-5-3-2-4-6-8-13-24-44-32-19-15-18-31(34(40)41)33(32)46-35(42)30-22-20-29(21-23-30)28-16-11-10-12-17-28/h10-12,15-23,38-39H,2-9,13-14,24-27H2,1H3,(H,40,41)/p-1