1,2,3,4,5,6-hexakis[(4-tert-butylphenyl)sulfanylmethyl]benzene

Systemtic Name: 1,2,3,4,5,6-hexakis[(4-tert-butylphenyl)sulfanylmethyl]benzene Openeye Name: 1,2,3,4,5,6-hexakis[(4-tert-butylphenyl)sulfanylmethyl]benzene CAS Name: 1,2,3,4,5,6-hexakis[[(4-tert-butylphenyl)thio]methyl]benzene IUPAC Name: 1,2,3,4,5,6-hexakis[(4-tert-butylphenyl)sulfanylmethyl]benzene Traditional Name: 1,2,3,4,5,6-hexakis[[(4-tert-butylphenyl)thio]methyl]benzene Formula: C72H90S6 MolecularWeight: 1147.875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C(=C(C(=C2CSC3=CC=C(C=C3)C(C)(C)C)CSC4=CC=C(C=C4)C(C)(C)C)CSC5=CC=C(C=C5)C(C)(C)C)CSC6=CC=C(C=C6)C(C)(C)C)CSC7=CC=C(C=C7)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=C(C(=C(C(=C2CSC3=CC=C(C=C3)C(C)(C)C)CSC4=CC=C(C=C4)C(C)(C)C)CSC5=CC=C(C=C5)C(C)(C)C)CSC6=CC=C(C=C6)C(C)(C)C)CSC7=CC=C(C=C7)C(C)(C)C

InChI

InChI=1S/C72H90S6/c1-67(2,3)49-19-31-55(32-20-49)73-43-61-62(44-74-56-33-21-50(22-34-56)68(4,5)6)64(46-76-58-37-25-52(26-38-58)70(10,11)12)66(48-78-60-41-29-54(30-42-60)72(16,17)18)65(47-77-59-39-27-53(28-40-59)71(13,14)15)63(61)45-75-57-35-23-51(24-36-57)69(7,8)9/h19-42H,43-48H2,1-18H3