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

Systemtic Name: 3-[12-[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoyl]oxydodecoxy]-4-phenyl-benzoate Openeye Name: 3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoyl]oxydodecoxy]-4-phenyl-benzoate CAS Name: 3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methyl-1-oxopropoxy]dodecoxy]-4-phenylbenzoate IUPAC Name: 3-[12-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxydodecoxy]-4-phenylbenzoate Traditional Name: 3-[12-(3-hydroxy-2-methyl-2-methylol-propanoyl)oxydodecoxy]-4-phenyl-benzoate Formula: C30H41O7- MolecularWeight: 513.64234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C30H42O7/c1-30(22-31,23-32)29(35)37-20-14-9-7-5-3-2-4-6-8-13-19-36-27-21-25(28(33)34)17-18-26(27)24-15-11-10-12-16-24/h10-12,15-18,21,31-32H,2-9,13-14,19-20,22-23H2,1H3,(H,33,34)/p-1