1-tert-butyl-3-phenylsulfanyl-benzene

Systemtic Name: 1-tert-butyl-3-phenylsulfanyl-benzene Openeye Name: 1-tert-butyl-3-phenylsulfanyl-benzene CAS Name: 1-tert-butyl-3-(phenylthio)benzene IUPAC Name: 1-tert-butyl-3-phenylsulfanylbenzene Traditional Name: 1-tert-butyl-3-(phenylthio)benzene Formula: C16H18S MolecularWeight: 242.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C16H18S/c1-16(2,3)13-8-7-11-15(12-13)17-14-9-5-4-6-10-14/h4-12H,1-3H3