1,3-dimethyl-2-octadecylsulfanyl-benzene

Systemtic Name: 1,3-dimethyl-2-octadecylsulfanyl-benzene Openeye Name: 1,3-dimethyl-2-octadecylsulfanyl-benzene CAS Name: 1,3-dimethyl-2-(octadecylthio)benzene IUPAC Name: 1,3-dimethyl-2-octadecylsulfanylbenzene Traditional Name: 1,3-dimethyl-2-(stearylthio)benzene Formula: C26H46S MolecularWeight: 390.70844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C=CC=C1C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C=CC=C1C)C

InChI

InChI=1S/C26H46S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-26-24(2)21-20-22-25(26)3/h20-22H,4-19,23H2,1-3H3