2-[2-butoxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-3-pentadecyl-benzenethiol

Systemtic Name: 2-[2-butoxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-3-pentadecyl-benzenethiol Openeye Name: 2-[2-butoxy-5-(1,1-dimethylhexyl)phenyl]sulfanyl-3-pentadecyl-benzenethiol CAS Name: 2-[[2-butoxy-5-(2-methylheptan-2-yl)phenyl]thio]-3-pentadecylbenzenethiol IUPAC Name: 2-[2-butoxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-3-pentadecylbenzenethiol Traditional Name: 2-[[2-butoxy-5-(1,1-dimethylhexyl)phenyl]thio]-3-pentadecyl-benzenethiol Formula: C39H64OS2 MolecularWeight: 613.05486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)S)SC2=C(C=CC(=C2)C(C)(C)CCCCC)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)S)SC2=C(C=CC(=C2)C(C)(C)CCCCC)OCCCC

InChI

InChI=1S/C39H64OS2/c1-6-9-12-13-14-15-16-17-18-19-20-21-22-25-33-26-24-27-36(41)38(33)42-37-32-34(39(4,5)30-23-10-7-2)28-29-35(37)40-31-11-8-3/h24,26-29,32,41H,6-23,25,30-31H2,1-5H3