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ethyl 2,2,7,8,8-pentakis(hydroxymethyl)-9-oxidanyl-nonanoate; octanoic acid

ethyl 2,2,7,8,8-pentakis(hydroxymethyl)-9-oxidanyl-nonanoate; octanoic acid

Systemtic Name:ethyl 2,2,7,8,8-pentakis(hydroxymethyl)-9-oxidanyl-nonanoate; octanoic acid
Openeye Name:ethyl 9-hydroxy-2,2,7,8,8-pentakis(hydroxymethyl)nonanoate; octanoic acid
CAS Name:9-hydroxy-2,2,7,8,8-pentakis(hydroxymethyl)nonanoic acid ethyl ester; octanoic acid
IUPAC Name:ethyl 9-hydroxy-2,2,7,8,8-pentakis(hydroxymethyl)nonanoate; octanoic acid
Traditional Name:caprylic acid; 9-hydroxy-2,2,7,8,8-pentamethylol-pelargonic acid ethyl ester
Formula: C32H64O12
MolecularWeight: 640.84336
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CCCCCCCC(=O)O.CCOC(=O)C(CCCCC(CO)C(CO)(CO)CO)(CO)CO


Isomeric SMILES

CCCCCCCC(=O)O.CCCCCCCC(=O)O.CCOC(=O)C(CCCCC(CO)C(CO)(CO)CO)(CO)CO


InChI

InChI=1S/C16H32O8.2C8H16O2/c1-2-24-14(23)15(8-18,9-19)6-4-3-5-13(7-17)16(10-20,11-21)12-22;2*1-2-3-4-5-6-7-8(9)10/h13,17-22H,2-12H2,1H3;2*2-7H2,1H3,(H,9,10)


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