[5-ethyl-3-[5-ethyl-1,2-bis(oxidanyl)nonan-3-yl]oxy-1-oxidanyl-nonan-2-yl] 2-ethylhexanoate

Systemtic Name: [5-ethyl-3-[5-ethyl-1,2-bis(oxidanyl)nonan-3-yl]oxy-1-oxidanyl-nonan-2-yl] 2-ethylhexanoate Openeye Name: [2-[1-(1,2-dihydroxyethyl)-3-ethyl-heptoxy]-4-ethyl-1-(hydroxymethyl)octyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [5-ethyl-3-(5-ethyl-1,2-dihydroxynonan-3-yl)oxy-1-hydroxynonan-2-yl] ester IUPAC Name: [5-ethyl-3-(5-ethyl-1,2-dihydroxynonan-3-yl)oxy-1-hydroxynonan-2-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2-[1-(1,2-dihydroxyethyl)-3-ethyl-heptoxy]-4-ethyl-1-methylol-octyl] ester Formula: C30H60O6 MolecularWeight: 516.7938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(C(CO)O)OC(CC(CC)CCCC)C(CO)OC(=O)C(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC(C(CO)O)OC(CC(CC)CCCC)C(CO)OC(=O)C(CC)CCCC

InChI

InChI=1S/C30H60O6/c1-7-13-16-23(10-4)19-27(26(33)21-31)35-28(20-24(11-5)17-14-8-2)29(22-32)36-30(34)25(12-6)18-15-9-3/h23-29,31-33H,7-22H2,1-6H3