ethyl (2S,3S)-2-(hydroxymethyl)-8-naphthalen-1-yl-3-oxidanyl-octanoate

Systemtic Name: ethyl (2S,3S)-2-(hydroxymethyl)-8-naphthalen-1-yl-3-oxidanyl-octanoate Openeye Name: ethyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)-8-(1-naphthyl)octanoate CAS Name: (2S,3S)-3-hydroxy-2-(hydroxymethyl)-8-(1-naphthalenyl)octanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-hydroxy-2-(hydroxymethyl)-8-naphthalen-1-yloctanoate Traditional Name: (2S,3S)-3-hydroxy-2-methylol-8-(1-naphthyl)caprylic acid ethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CO)C(CCCCCC1=CC=CC2=CC=CC=C21)O

Isomeric SMILES

CCOC(=O)[C@@H](CO)[C@H](CCCCCC1=CC=CC2=CC=CC=C21)O

InChI

InChI=1S/C21H28O4/c1-2-25-21(24)19(15-22)20(23)14-5-3-4-9-16-11-8-12-17-10-6-7-13-18(16)17/h6-8,10-13,19-20,22-23H,2-5,9,14-15H2,1H3/t19-,20-/m0/s1