2-[(2,6-ditert-butyl-4-methyl-phenyl)-octadecoxy-methyl]-2-(hydroxymethyl)propane-1,3-diol

Systemtic Name: 2-[(2,6-ditert-butyl-4-methyl-phenyl)-octadecoxy-methyl]-2-(hydroxymethyl)propane-1,3-diol Openeye Name: 2-[(2,6-ditert-butyl-4-methyl-phenyl)-octadecoxy-methyl]-2-(hydroxymethyl)propane-1,3-diol CAS Name: 2-[(2,6-ditert-butyl-4-methylphenyl)-octadecoxymethyl]-2-(hydroxymethyl)propane-1,3-diol IUPAC Name: 2-[(2,6-ditert-butyl-4-methylphenyl)-octadecoxymethyl]-2-(hydroxymethyl)propane-1,3-diol Traditional Name: 2-[(2,6-ditert-butyl-4-methyl-phenyl)-stearyloxy-methyl]-2-methylol-propane-1,3-diol Formula: C38H70O4 MolecularWeight: 590.96

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C)C(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C)C(CO)(CO)CO

InChI

InChI=1S/C38H70O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42-35(38(28-39,29-40)30-41)34-32(36(3,4)5)26-31(2)27-33(34)37(6,7)8/h26-27,35,39-41H,9-25,28-30H2,1-8H3