[3,5,5-tris(hydroxymethyl)-4-oxidanyl-oxan-3-yl]methyl octadecanoate

Systemtic Name: [3,5,5-tris(hydroxymethyl)-4-oxidanyl-oxan-3-yl]methyl octadecanoate Openeye Name: [4-hydroxy-3,5,5-tris(hydroxymethyl)tetrahydropyran-3-yl]methyl octadecanoate CAS Name: octadecanoic acid [4-hydroxy-3,5,5-tris(hydroxymethyl)-3-oxanyl]methyl ester IUPAC Name: [4-hydroxy-3,5,5-tris(hydroxymethyl)oxan-3-yl]methyl octadecanoate Traditional Name: stearic acid (4-hydroxy-3,5,5-trimethylol-tetrahydropyran-3-yl)methyl ester Formula: C27H52O7 MolecularWeight: 488.69758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(CO)CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(COCC(C1O)(CO)CO)CO

InChI

InChI=1S/C27H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(31)34-23-27(20-30)22-33-21-26(18-28,19-29)25(27)32/h25,28-30,32H,2-23H2,1H3