5-methyl-5-oxidanyl-2,6-bis[(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl]heptan-3-one

Systemtic Name: 5-methyl-5-oxidanyl-2,6-bis[(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl]heptan-3-one Openeye Name: 5-hydroxy-2,6-bis[(4-hydroxy-3,5-diphenyl-phenyl)sulfanyl]-5-methyl-heptan-3-one CAS Name: 5-hydroxy-2,6-bis[(4-hydroxy-3,5-diphenylphenyl)thio]-5-methyl-3-heptanone IUPAC Name: 5-hydroxy-2,6-bis[(4-hydroxy-3,5-diphenylphenyl)sulfanyl]-5-methylheptan-3-one Traditional Name: 5-hydroxy-2,6-bis[(4-hydroxy-3,5-diphenyl-phenyl)thio]-5-methyl-heptan-3-one Formula: C44H40O4S2 MolecularWeight: 696.916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(C)(C(C)SC1=CC(=C(C(=C1)C2=CC=CC=C2)O)C3=CC=CC=C3)O)SC4=CC(=C(C(=C4)C5=CC=CC=C5)O)C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)CC(C)(C(C)SC1=CC(=C(C(=C1)C2=CC=CC=C2)O)C3=CC=CC=C3)O)SC4=CC(=C(C(=C4)C5=CC=CC=C5)O)C6=CC=CC=C6

InChI

InChI=1S/C44H40O4S2/c1-29(49-35-24-37(31-16-8-4-9-17-31)42(46)38(25-35)32-18-10-5-11-19-32)41(45)28-44(3,48)30(2)50-36-26-39(33-20-12-6-13-21-33)43(47)40(27-36)34-22-14-7-15-23-34/h4-27,29-30,46-48H,28H2,1-3H3