[2,2-bis(2-ethylhexanoyloxy)-3,3-bis(hydroxymethyl)-4-oxidanyl-butyl] 2-ethylhexanoate

Systemtic Name: [2,2-bis(2-ethylhexanoyloxy)-3,3-bis(hydroxymethyl)-4-oxidanyl-butyl] 2-ethylhexanoate Openeye Name: [2,2-bis(2-ethylhexanoyloxy)-4-hydroxy-3,3-bis(hydroxymethyl)butyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [2,2-bis(2-ethyl-1-oxohexoxy)-4-hydroxy-3,3-bis(hydroxymethyl)butyl] ester IUPAC Name: [2,2-bis(2-ethylhexanoyloxy)-4-hydroxy-3,3-bis(hydroxymethyl)butyl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [2,2-bis(2-ethylhexanoyloxy)-4-hydroxy-3,3-dimethylol-butyl] ester Formula: C30H56O9 MolecularWeight: 560.76024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H56O9/c1-7-13-16-23(10-4)26(34)37-22-30(29(19-31,20-32)21-33,38-27(35)24(11-5)17-14-8-2)39-28(36)25(12-6)18-15-9-3/h23-25,31-33H,7-22H2,1-6H3