tert-butyl 2-phenyl-6,6-bis(phenylsulfanyl)hexanoate

Systemtic Name: tert-butyl 2-phenyl-6,6-bis(phenylsulfanyl)hexanoate Openeye Name: tert-butyl 2-phenyl-6,6-bis(phenylsulfanyl)hexanoate CAS Name: 2-phenyl-6,6-bis(phenylthio)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-phenyl-6,6-bis(phenylsulfanyl)hexanoate Traditional Name: 2-phenyl-6,6-bis(phenylthio)hexanoic acid tert-butyl ester Formula: C28H32O2S2 MolecularWeight: 464.68248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCC(SC1=CC=CC=C1)SC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCC(SC1=CC=CC=C1)SC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H32O2S2/c1-28(2,3)30-27(29)25(22-14-7-4-8-15-22)20-13-21-26(31-23-16-9-5-10-17-23)32-24-18-11-6-12-19-24/h4-12,14-19,25-26H,13,20-21H2,1-3H3