benzene-1,3-dicarboxylic acid; [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] octadecanoate

Systemtic Name: benzene-1,3-dicarboxylic acid; [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] octadecanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] octadecanoate; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; octadecanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: benzene-1,3-dicarboxylic acid; [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate Traditional Name: isophthalic acid; stearic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C31H52O8 MolecularWeight: 552.73978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C23H46O4.C8H6O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)27-21-23(2,19-24)20-25;9-7(10)5-2-1-3-6(4-5)8(11)12/h24-25H,3-21H2,1-2H3;1-4H,(H,9,10)(H,11,12)