S-[4-[4-(3,5-ditert-butylphenyl)carbonylsulfanylphenyl]sulfanylphenyl] 3,5-ditert-butylbenzenecarbothioate

Systemtic Name: S-[4-[4-(3,5-ditert-butylphenyl)carbonylsulfanylphenyl]sulfanylphenyl] 3,5-ditert-butylbenzenecarbothioate Openeye Name: S-[4-[4-(3,5-ditert-butylbenzoyl)sulfanylphenyl]sulfanylphenyl] 3,5-ditert-butylbenzenecarbothioate CAS Name: 3,5-ditert-butylbenzenecarbothioic acid S-[4-[[4-[[(3,5-ditert-butylphenyl)-oxomethyl]thio]phenyl]thio]phenyl] ester IUPAC Name: S-[4-[4-(3,5-ditert-butylbenzoyl)sulfanylphenyl]sulfanylphenyl] 3,5-ditert-butylbenzenecarbothioate Traditional Name: 3,5-ditert-butylthiobenzoic acid S-[4-[[4-[(3,5-ditert-butylbenzoyl)thio]phenyl]thio]phenyl] ester Formula: C42H50O2S3 MolecularWeight: 683.0402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)SC2=CC=C(C=C2)SC3=CC=C(C=C3)SC(=O)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)SC2=CC=C(C=C2)SC3=CC=C(C=C3)SC(=O)C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C42H50O2S3/c1-39(2,3)29-21-27(22-30(25-29)40(4,5)6)37(43)46-35-17-13-33(14-18-35)45-34-15-19-36(20-16-34)47-38(44)28-23-31(41(7,8)9)26-32(24-28)42(10,11)12/h13-26H,1-12H3