5-methyl-1-oxidanyl-1,7-bis[(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl]heptan-3-one

Systemtic Name: 5-methyl-1-oxidanyl-1,7-bis[(4-oxidanyl-3,5-diphenyl-phenyl)sulfanyl]heptan-3-one Openeye Name: 1-hydroxy-1,7-bis[(4-hydroxy-3,5-diphenyl-phenyl)sulfanyl]-5-methyl-heptan-3-one CAS Name: 1-hydroxy-1,7-bis[(4-hydroxy-3,5-diphenylphenyl)thio]-5-methyl-3-heptanone IUPAC Name: 1-hydroxy-1,7-bis[(4-hydroxy-3,5-diphenylphenyl)sulfanyl]-5-methylheptan-3-one Traditional Name: 1-hydroxy-1,7-bis[(4-hydroxy-3,5-diphenyl-phenyl)thio]-5-methyl-heptan-3-one Formula: C44H40O4S2 MolecularWeight: 696.916

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSC1=CC(=C(C(=C1)C2=CC=CC=C2)O)C3=CC=CC=C3)CC(=O)CC(O)SC4=CC(=C(C(=C4)C5=CC=CC=C5)O)C6=CC=CC=C6

Isomeric SMILES

CC(CCSC1=CC(=C(C(=C1)C2=CC=CC=C2)O)C3=CC=CC=C3)CC(=O)CC(O)SC4=CC(=C(C(=C4)C5=CC=CC=C5)O)C6=CC=CC=C6

InChI

InChI=1S/C44H40O4S2/c1-30(22-23-49-36-26-38(31-14-6-2-7-15-31)43(47)39(27-36)32-16-8-3-9-17-32)24-35(45)25-42(46)50-37-28-40(33-18-10-4-11-19-33)44(48)41(29-37)34-20-12-5-13-21-34/h2-21,26-30,42,46-48H,22-25H2,1H3