1-[(4-bromophenyl)methylsulfanyl]-3-octoxy-propan-2-ol

Systemtic Name: 1-[(4-bromophenyl)methylsulfanyl]-3-octoxy-propan-2-ol Openeye Name: 1-[(4-bromophenyl)methylsulfanyl]-3-octoxy-propan-2-ol CAS Name: 1-[(4-bromophenyl)methylthio]-3-octoxy-2-propanol IUPAC Name: 1-[(4-bromophenyl)methylsulfanyl]-3-octoxypropan-2-ol Traditional Name: 1-[(4-bromobenzyl)thio]-3-octoxy-propan-2-ol Formula: C18H29BrO2S MolecularWeight: 389.39066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC(CSCC1=CC=C(C=C1)Br)O

Isomeric SMILES

CCCCCCCCOCC(CSCC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C18H29BrO2S/c1-2-3-4-5-6-7-12-21-13-18(20)15-22-14-16-8-10-17(19)11-9-16/h8-11,18,20H,2-7,12-15H2,1H3