4-(octadecoxymethyl)-5-phenylmethoxy-pentane-1-thiol

Systemtic Name: 4-(octadecoxymethyl)-5-phenylmethoxy-pentane-1-thiol Openeye Name: 4-(benzyloxymethyl)-5-octadecoxy-pentane-1-thiol CAS Name: 4-(octadecoxymethyl)-5-phenylmethoxy-1-pentanethiol IUPAC Name: 4-(octadecoxymethyl)-5-phenylmethoxypentane-1-thiol Traditional Name: 4-(benzoxymethyl)-5-stearyloxy-pentane-1-thiol Formula: C31H56O2S MolecularWeight: 492.84014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCCS)COCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCCS)COCC1=CC=CC=C1

InChI

InChI=1S/C31H56O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-32-28-31(24-21-26-34)29-33-27-30-22-18-17-19-23-30/h17-19,22-23,31,34H,2-16,20-21,24-29H2,1H3