chloranylbenzene; 1-(4-chloranylphenoxy)-3,3-dimethyl-4-sulfanyl-butan-2-one

Systemtic Name: chloranylbenzene; 1-(4-chloranylphenoxy)-3,3-dimethyl-4-sulfanyl-butan-2-one Openeye Name: chlorobenzene; 1-(4-chlorophenoxy)-3,3-dimethyl-4-sulfanyl-butan-2-one CAS Name: chlorobenzene; 1-(4-chlorophenoxy)-4-mercapto-3,3-dimethyl-2-butanone IUPAC Name: chlorobenzene; 1-(4-chlorophenoxy)-3,3-dimethyl-4-sulfanylbutan-2-one Traditional Name: chlorobenzene; 1-(4-chlorophenoxy)-4-mercapto-3,3-dimethyl-butan-2-one Formula: C18H20Cl2O2S MolecularWeight: 371.3212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS)C(=O)COC1=CC=C(C=C1)Cl.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(C)(CS)C(=O)COC1=CC=C(C=C1)Cl.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H15ClO2S.C6H5Cl/c1-12(2,8-16)11(14)7-15-10-5-3-9(13)4-6-10;7-6-4-2-1-3-5-6/h3-6,16H,7-8H2,1-2H3;1-5H