methylbenzene; 1-(4-propylphenyl)-2-sulfanyl-ethanone

Systemtic Name: methylbenzene; 1-(4-propylphenyl)-2-sulfanyl-ethanone Openeye Name: 1-(4-propylphenyl)-2-sulfanyl-ethanone; toluene CAS Name: 2-mercapto-1-(4-propylphenyl)ethanone; toluene IUPAC Name: 1-(4-propylphenyl)-2-sulfanylethanone; toluene Traditional Name: 2-mercapto-1-(4-propylphenyl)ethanone; toluene Formula: C18H22OS MolecularWeight: 286.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CS.CC1=CC=CC=C1

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CS.CC1=CC=CC=C1

InChI

InChI=1S/C11H14OS.C7H8/c1-2-3-9-4-6-10(7-5-9)11(12)8-13;1-7-5-3-2-4-6-7/h4-7,13H,2-3,8H2,1H3;2-6H,1H3