5-methyl-4-[(phenylmethylsulfanyl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-[(phenylmethylsulfanyl)methyl]furan-2-carboxylic acid Openeye Name: 4-(benzylsulfanylmethyl)-5-methyl-furan-2-carboxylic acid CAS Name: 5-methyl-4-[(phenylmethylthio)methyl]-2-furancarboxylic acid IUPAC Name: 4-(benzylsulfanylmethyl)-5-methylfuran-2-carboxylic acid Traditional Name: 4-[(benzylthio)methyl]-5-methyl-2-furoic acid Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSCC2=CC=CC=C2

InChI

InChI=1S/C14H14O3S/c1-10-12(7-13(17-10)14(15)16)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,16)