ethyl 8-(2-methylnaphthalen-1-yl)-3,5-bis(oxidanyl)octanoate

Systemtic Name: ethyl 8-(2-methylnaphthalen-1-yl)-3,5-bis(oxidanyl)octanoate Openeye Name: ethyl 3,5-dihydroxy-8-(2-methyl-1-naphthyl)octanoate CAS Name: 3,5-dihydroxy-8-(2-methyl-1-naphthalenyl)octanoic acid ethyl ester IUPAC Name: ethyl 3,5-dihydroxy-8-(2-methylnaphthalen-1-yl)octanoate Traditional Name: 3,5-dihydroxy-8-(2-methyl-1-naphthyl)caprylic acid ethyl ester Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(CCCC1=C(C=CC2=CC=CC=C21)C)O)O

Isomeric SMILES

CCOC(=O)CC(CC(CCCC1=C(C=CC2=CC=CC=C21)C)O)O

InChI

InChI=1S/C21H28O4/c1-3-25-21(24)14-18(23)13-17(22)8-6-10-19-15(2)11-12-16-7-4-5-9-20(16)19/h4-5,7,9,11-12,17-18,22-23H,3,6,8,10,13-14H2,1-2H3