2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride

Systemtic Name: 2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride Openeye Name: 2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride CAS Name: 2-[[2-[bis(pentylthio)methyl]phenoxy]methyl]quinoline hydrochloride IUPAC Name: 2-[[2-[bis(pentylsulfanyl)methyl]phenoxy]methyl]quinoline hydrochloride Traditional Name: 2-[[2-[bis(amylthio)methyl]phenoxy]methyl]quinoline hydrochloride Formula: C27H36ClNOS2 MolecularWeight: 490.16384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SCCCCC.Cl

Isomeric SMILES

CCCCCSC(C1=CC=CC=C1OCC2=NC3=CC=CC=C3C=C2)SCCCCC.Cl

InChI

InChI=1S/C27H35NOS2.ClH/c1-3-5-11-19-30-27(31-20-12-6-4-2)24-14-8-10-16-26(24)29-21-23-18-17-22-13-7-9-15-25(22)28-23;/h7-10,13-18,27H,3-6,11-12,19-21H2,1-2H3;1H