1-(4-octadecoxyphenyl)-2-phenyl-ethanethiol

Systemtic Name: 1-(4-octadecoxyphenyl)-2-phenyl-ethanethiol Openeye Name: 1-(4-octadecoxyphenyl)-2-phenyl-ethanethiol CAS Name: 1-(4-octadecoxyphenyl)-2-phenylethanethiol IUPAC Name: 1-(4-octadecoxyphenyl)-2-phenylethanethiol Traditional Name: 2-phenyl-1-(4-stearyloxyphenyl)ethanethiol Formula: C32H50OS MolecularWeight: 482.8038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C32H50OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-33-31-25-23-30(24-26-31)32(34)28-29-21-18-17-19-22-29/h17-19,21-26,32,34H,2-16,20,27-28H2,1H3