1,2,3,4,5,6-hexakis[(3,5-dimethylphenyl)methylsulfanylmethyl]benzene

Systemtic Name: 1,2,3,4,5,6-hexakis[(3,5-dimethylphenyl)methylsulfanylmethyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(3,5-dimethylphenyl)methylsulfanylmethyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[[(3,5-dimethylphenyl)methylthio]methyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(3,5-dimethylphenyl)methylsulfanylmethyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[[(3,5-dimethylbenzyl)thio]methyl]benzene Formula: C66H78S6 MolecularWeight: 1063.71552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC2=C(C(=C(C(=C2CSCC3=CC(=CC(=C3)C)C)CSCC4=CC(=CC(=C4)C)C)CSCC5=CC(=CC(=C5)C)C)CSCC6=CC(=CC(=C6)C)C)CSCC7=CC(=CC(=C7)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC2=C(C(=C(C(=C2CSCC3=CC(=CC(=C3)C)C)CSCC4=CC(=CC(=C4)C)C)CSCC5=CC(=CC(=C5)C)C)CSCC6=CC(=CC(=C6)C)C)CSCC7=CC(=CC(=C7)C)C)C

InChI

InChI=1S/C66H78S6/c1-43-13-44(2)20-55(19-43)31-67-37-61-62(38-68-32-56-21-45(3)14-46(4)22-56)64(40-70-34-58-25-49(7)16-50(8)26-58)66(42-72-36-60-29-53(11)18-54(12)30-60)65(41-71-35-59-27-51(9)17-52(10)28-59)63(61)39-69-33-57-23-47(5)15-48(6)24-57/h13-30H,31-42H2,1-12H3