5-(hydroxymethyl)-2-methyl-4-phenylsulfanyl-thiophene-3-carboxylic acid

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-phenylsulfanyl-thiophene-3-carboxylic acid Openeye Name: 5-(hydroxymethyl)-2-methyl-4-phenylsulfanyl-thiophene-3-carboxylic acid CAS Name: 5-(hydroxymethyl)-2-methyl-4-(phenylthio)-3-thiophenecarboxylic acid IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-phenylsulfanylthiophene-3-carboxylic acid Traditional Name: 2-methyl-5-methylol-4-(phenylthio)-3-thenoic acid Formula: C13H12O3S2 MolecularWeight: 280.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)CO)SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=C(S1)CO)SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H12O3S2/c1-8-11(13(15)16)12(10(7-14)17-8)18-9-5-3-2-4-6-9/h2-6,14H,7H2,1H3,(H,15,16)