1-hexadecylsulfanyl-3-methyl-benzene

Systemtic Name: 1-hexadecylsulfanyl-3-methyl-benzene Openeye Name: 1-hexadecylsulfanyl-3-methyl-benzene CAS Name: 1-(hexadecylthio)-3-methylbenzene IUPAC Name: 1-hexadecylsulfanyl-3-methylbenzene Traditional Name: 1-(cetylthio)-3-methyl-benzene Formula: C23H40S MolecularWeight: 348.6287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=CC(=C1)C

InChI

InChI=1S/C23H40S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-23-19-17-18-22(2)21-23/h17-19,21H,3-16,20H2,1-2H3