3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoic acid Openeye Name: 3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoic acid CAS Name: 3,5-bis[(3,5-ditert-butylphenyl)methylthio]benzoic acid IUPAC Name: 3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoic acid Traditional Name: 3,5-bis[(3,5-ditert-butylbenzyl)thio]benzoic acid Formula: C37H50O2S2 MolecularWeight: 590.9217

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CSC2=CC(=CC(=C2)C(=O)O)SCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CSC2=CC(=CC(=C2)C(=O)O)SCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C37H50O2S2/c1-34(2,3)27-13-24(14-28(19-27)35(4,5)6)22-40-31-17-26(33(38)39)18-32(21-31)41-23-25-15-29(36(7,8)9)20-30(16-25)37(10,11)12/h13-21H,22-23H2,1-12H3,(H,38,39)