4-icosan-2-yl-2,6-dimethyl-3-methylsulfanyl-phenol

Systemtic Name: 4-icosan-2-yl-2,6-dimethyl-3-methylsulfanyl-phenol Openeye Name: 2,6-dimethyl-4-(1-methylnonadecyl)-3-methylsulfanyl-phenol CAS Name: 4-eicosan-2-yl-2,6-dimethyl-3-(methylthio)phenol IUPAC Name: 4-icosan-2-yl-2,6-dimethyl-3-methylsulfanylphenol Traditional Name: 2,6-dimethyl-4-(1-methylnonadecyl)-3-(methylthio)phenol Formula: C29H52OS MolecularWeight: 448.78758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)C1=C(C(=C(C(=C1)C)O)C)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)C1=C(C(=C(C(=C1)C)O)C)SC

InChI

InChI=1S/C29H52OS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)27-23-25(3)28(30)26(4)29(27)31-5/h23-24,30H,6-22H2,1-5H3