1-chloranyl-4-[(E)-2-chloranyl-4,4-dimethyl-pent-2-en-3-yl]sulfanyl-benzene

Systemtic Name: 1-chloranyl-4-[(E)-2-chloranyl-4,4-dimethyl-pent-2-en-3-yl]sulfanyl-benzene Openeye Name: 1-[(E)-1-tert-butyl-2-chloro-prop-1-enyl]sulfanyl-4-chloro-benzene CAS Name: 1-chloro-4-[[(E)-2-chloro-4,4-dimethylpent-2-en-3-yl]thio]benzene IUPAC Name: 1-chloro-4-[(E)-2-chloro-4,4-dimethylpent-2-en-3-yl]sulfanylbenzene Traditional Name: 1-[[(E)-1-tert-butyl-2-chloro-prop-1-enyl]thio]-4-chloro-benzene Formula: C13H16Cl2S MolecularWeight: 275.23714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C)(C)C)SC1=CC=C(C=C1)Cl)Cl

Isomeric SMILES

C/C(=C(/C(C)(C)C)\SC1=CC=C(C=C1)Cl)/Cl

InChI

InChI=1S/C13H16Cl2S/c1-9(14)12(13(2,3)4)16-11-7-5-10(15)6-8-11/h5-8H,1-4H3/b12-9+