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

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-methylphenyl)sulfanyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis(p-tolylsulfanyl)benzene CAS Name: 1,2,3,4,5,6-hexakis[(4-methylphenyl)thio]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-methylphenyl)sulfanyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis(p-tolylthio)benzene Formula: C48H42S6 MolecularWeight: 811.23708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)SC5=CC=C(C=C5)C)SC6=CC=C(C=C6)C)SC7=CC=C(C=C7)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)SC5=CC=C(C=C5)C)SC6=CC=C(C=C6)C)SC7=CC=C(C=C7)C

InChI

InChI=1S/C48H42S6/c1-31-7-19-37(20-8-31)49-43-44(50-38-21-9-32(2)10-22-38)46(52-40-25-13-34(4)14-26-40)48(54-42-29-17-36(6)18-30-42)47(53-41-27-15-35(5)16-28-41)45(43)51-39-23-11-33(3)12-24-39/h7-30H,1-6H3