[2-(hydroxymethyl)-2-methyl-3-oxidanylidene-3-phenylmethoxy-propyl] octadecanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanylidene-3-phenylmethoxy-propyl] octadecanoate Openeye Name: [3-benzyloxy-2-(hydroxymethyl)-2-methyl-3-oxo-propyl] octadecanoate CAS Name: octadecanoic acid [2-(hydroxymethyl)-2-methyl-3-oxo-3-phenylmethoxypropyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-oxo-3-phenylmethoxypropyl] octadecanoate Traditional Name: stearic acid (3-benzoxy-3-keto-2-methyl-2-methylol-propyl) ester Formula: C30H50O5 MolecularWeight: 490.715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C30H50O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(32)35-26-30(2,25-31)29(33)34-24-27-21-18-17-19-22-27/h17-19,21-22,31H,3-16,20,23-26H2,1-2H3