12-(6-phenylcyclohexa-1,3-dien-1-yl)oxydodecyl 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate

Systemtic Name: 12-(6-phenylcyclohexa-1,3-dien-1-yl)oxydodecyl 2-(hydroxymethyl)-2-methyl-3-oxidanyl-propanoate Openeye Name: 12-(6-phenylcyclohexa-1,3-dien-1-yl)oxydodecyl 3-hydroxy-2-(hydroxymethyl)-2-methyl-propanoate CAS Name: 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid 12-[(6-phenyl-1-cyclohexa-1,3-dienyl)oxy]dodecyl ester IUPAC Name: 12-(6-phenylcyclohexa-1,3-dien-1-yl)oxydodecyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate Traditional Name: 3-hydroxy-2-methyl-2-methylol-propionic acid 12-(6-phenylcyclohexa-1,3-dien-1-yl)oxydodecyl ester Formula: C29H44O5 MolecularWeight: 472.65666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CCC1C2=CC=CC=C2

Isomeric SMILES

CC(CO)(CO)C(=O)OCCCCCCCCCCCCOC1=CC=CCC1C2=CC=CC=C2

InChI

InChI=1S/C29H44O5/c1-29(23-30,24-31)28(32)34-22-16-9-7-5-3-2-4-6-8-15-21-33-27-20-14-13-19-26(27)25-17-11-10-12-18-25/h10-14,17-18,20,26,30-31H,2-9,15-16,19,21-24H2,1H3