ethyl 2-(hydroxymethyl)-2-oxidanyl-4-phenylmethoxy-octanoate

Systemtic Name: ethyl 2-(hydroxymethyl)-2-oxidanyl-4-phenylmethoxy-octanoate Openeye Name: ethyl 4-benzyloxy-2-hydroxy-2-(hydroxymethyl)octanoate CAS Name: 2-hydroxy-2-(hydroxymethyl)-4-phenylmethoxyoctanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-(hydroxymethyl)-4-phenylmethoxyoctanoate Traditional Name: 4-benzoxy-2-hydroxy-2-methylol-caprylic acid ethyl ester Formula: C18H28O5 MolecularWeight: 324.41192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O5/c1-3-5-11-16(23-13-15-9-7-6-8-10-15)12-18(21,14-19)17(20)22-4-2/h6-10,16,19,21H,3-5,11-14H2,1-2H3