tert-butyl 3-phenethyl-5,5-bis(phenylsulfanyl)pentanoate

Systemtic Name: tert-butyl 3-phenethyl-5,5-bis(phenylsulfanyl)pentanoate Openeye Name: tert-butyl 3-phenethyl-5,5-bis(phenylsulfanyl)pentanoate CAS Name: 3-phenethyl-5,5-bis(phenylthio)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-phenethyl-5,5-bis(phenylsulfanyl)pentanoate Traditional Name: 3-phenethyl-5,5-bis(phenylthio)valeric acid tert-butyl ester Formula: C29H34O2S2 MolecularWeight: 478.70906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCC1=CC=CC=C1)CC(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCC1=CC=CC=C1)CC(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C29H34O2S2/c1-29(2,3)31-27(30)21-24(20-19-23-13-7-4-8-14-23)22-28(32-25-15-9-5-10-16-25)33-26-17-11-6-12-18-26/h4-18,24,28H,19-22H2,1-3H3