2-[(4-ethanoyl-2,5-dimethyl-furan-3-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(4-ethanoyl-2,5-dimethyl-furan-3-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(4-acetyl-2,5-dimethyl-3-furyl)methylsulfanyl]benzoic acid CAS Name: 2-[(4-acetyl-2,5-dimethyl-3-furanyl)methylthio]benzoic acid IUPAC Name: 2-[(4-acetyl-2,5-dimethylfuran-3-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(4-acetyl-2,5-dimethyl-3-furyl)methylthio]benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)C(=O)C)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)C)C(=O)C)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H16O4S/c1-9(17)15-11(3)20-10(2)13(15)8-21-14-7-5-4-6-12(14)16(18)19/h4-7H,8H2,1-3H3,(H,18,19)