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3-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]benzoic acid

3-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name:3-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]benzoic acid
Openeye Name:3-[bis(4-isobutylphenyl)methylsulfanyl]benzoic acid
CAS Name:3-[bis[4-(2-methylpropyl)phenyl]methylthio]benzoic acid
IUPAC Name:3-[bis[4-(2-methylpropyl)phenyl]methylsulfanyl]benzoic acid
Traditional Name:3-[bis(4-isobutylphenyl)methylthio]benzoic acid
Formula: C28H32O2S
MolecularWeight: 432.61748
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)SC3=CC=CC(=C3)C(=O)O


Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC(C)C)SC3=CC=CC(=C3)C(=O)O


InChI

InChI=1S/C28H32O2S/c1-19(2)16-21-8-12-23(13-9-21)27(24-14-10-22(11-15-24)17-20(3)4)31-26-7-5-6-25(18-26)28(29)30/h5-15,18-20,27H,16-17H2,1-4H3,(H,29,30)


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