methyl 3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoate

Systemtic Name: methyl 3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoate Openeye Name: methyl 3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoate CAS Name: 3,5-bis[(3,5-ditert-butylphenyl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 3,5-bis[(3,5-ditert-butylphenyl)methylsulfanyl]benzoate Traditional Name: 3,5-bis[(3,5-ditert-butylbenzyl)thio]benzoic acid methyl ester Formula: C38H52O2S2 MolecularWeight: 604.94828

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H52O2S2/c1-35(2,3)28-14-25(15-29(20-28)36(4,5)6)23-41-32-18-27(34(39)40-13)19-33(22-32)42-24-26-16-30(37(7,8)9)21-31(17-26)38(10,11)12/h14-22H,23-24H2,1-13H3