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

Systemtic Name: 2-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]-4-phenyl-3-(phenylcarbonyloxy)benzoate Openeye Name: 3-benzoyloxy-2-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydodecoxy]-4-phenyl-benzoate CAS Name: 3-benzoyloxy-2-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]dodecoxy]-4-phenylbenzoate IUPAC Name: 3-benzoyloxy-2-[12-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydodecoxy]-4-phenylbenzoate Traditional Name: 3-benzoyloxy-2-[12-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydodecoxy]-4-phenyl-benzoate Formula: C37H45O9- MolecularWeight: 633.7478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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