2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl octadecanoate; terephthalic acid

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl octadecanoate; terephthalic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl octadecanoate; terephthalic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; octadecanoic acid 2-hydroxyethyl ester; terephthalic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 2-hydroxyethyl octadecanoate; terephthalic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; stearic acid 2-hydroxyethyl ester; terephthalic acid Formula: C33H58O11 MolecularWeight: 630.80702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCO.C1=CC(=CC=C1C(=O)O)C(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C20H40O3.C8H6O4.C5H12O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21;9-7(10)5-1-2-6(4-3-5)8(11)12;6-1-5(2-7,3-8)4-9/h21H,2-19H2,1H3;1-4H,(H,9,10)(H,11,12);6-9H,1-4H2