ethanoic acid; (4-methylphenyl)-thiophen-2-yl-methanone

Systemtic Name: ethanoic acid; (4-methylphenyl)-thiophen-2-yl-methanone Openeye Name: acetic acid; p-tolyl(2-thienyl)methanone CAS Name: acetic acid; (4-methylphenyl)-thiophen-2-ylmethanone IUPAC Name: acetic acid; (4-methylphenyl)-thiophen-2-ylmethanone Traditional Name: acetic acid; p-tolyl(2-thienyl)methanone Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CS2.CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CS2.CC(=O)O

InChI

InChI=1S/C12H10OS.C2H4O2/c1-9-4-6-10(7-5-9)12(13)11-3-2-8-14-11;1-2(3)4/h2-8H,1H3;1H3,(H,3,4)