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

Systemtic Name: 1,2,3,4,5,6-hexakis[(3-methylphenyl)methylsulfanylmethyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis(m-tolylmethylsulfanylmethyl)benzene CAS Name: 1,2,3,4,5,6-hexakis[[(3-methylphenyl)methylthio]methyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(3-methylphenyl)methylsulfanylmethyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[[(3-methylbenzyl)thio]methyl]benzene Formula: C60H66S6 MolecularWeight: 979.55604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C60H66S6/c1-43-13-7-19-49(25-43)31-61-37-55-56(38-62-32-50-20-8-14-44(2)26-50)58(40-64-34-52-22-10-16-46(4)28-52)60(42-66-36-54-24-12-18-48(6)30-54)59(41-65-35-53-23-11-17-47(5)29-53)57(55)39-63-33-51-21-9-15-45(3)27-51/h7-30H,31-42H2,1-6H3