2-(octadecoxymethyl)-3-phenyl-propane-1-thiol

Systemtic Name: 2-(octadecoxymethyl)-3-phenyl-propane-1-thiol Openeye Name: 2-benzyl-3-octadecoxy-propane-1-thiol CAS Name: 2-(octadecoxymethyl)-3-phenyl-1-propanethiol IUPAC Name: 2-benzyl-3-octadecoxypropane-1-thiol Traditional Name: 2-benzyl-3-stearyloxy-propane-1-thiol Formula: C28H50OS MolecularWeight: 434.761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC1=CC=CC=C1)CS

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC1=CC=CC=C1)CS

InChI

InChI=1S/C28H50OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-25-28(26-30)24-27-21-18-17-19-22-27/h17-19,21-22,28,30H,2-16,20,23-26H2,1H3