bis[2-(hydroxymethyl)-2-oxidanyl-hexanoyl] 3-butylbenzene-1,2-dicarboxylate

Systemtic Name: bis[2-(hydroxymethyl)-2-oxidanyl-hexanoyl] 3-butylbenzene-1,2-dicarboxylate Openeye Name: bis[2-hydroxy-2-(hydroxymethyl)hexanoyl] 3-butylbenzene-1,2-dicarboxylate CAS Name: 3-butylbenzene-1,2-dicarboxylic acid bis[2-hydroxy-2-(hydroxymethyl)-1-oxohexyl] ester IUPAC Name: bis[2-hydroxy-2-(hydroxymethyl)hexanoyl] 3-butylbenzene-1,2-dicarboxylate Traditional Name: 3-butylbenzene-1,2-dicarboxylic acid bis(2-hydroxy-2-methylol-hexanoyl) ester Formula: C26H38O10 MolecularWeight: 510.57392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1C(=O)OC(=O)C(CCCC)(CO)O)C(=O)OC(=O)C(CCCC)(CO)O

Isomeric SMILES

CCCCC1=CC=CC(=C1C(=O)OC(=O)C(CCCC)(CO)O)C(=O)OC(=O)C(CCCC)(CO)O

InChI

InChI=1S/C26H38O10/c1-4-7-11-18-12-10-13-19(21(29)35-23(31)25(33,16-27)14-8-5-2)20(18)22(30)36-24(32)26(34,17-28)15-9-6-3/h10,12-13,27-28,33-34H,4-9,11,14-17H2,1-3H3