3-[(4-tert-butylphenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 3-[[(4-tert-butylphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 3-[(4-tert-butylphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 3-[[(4-tert-butylphenyl)thio]methyl]-2-furoic acid Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=C(OC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=C(OC=C2)C(=O)O

InChI

InChI=1S/C16H18O3S/c1-16(2,3)12-4-6-13(7-5-12)20-10-11-8-9-19-14(11)15(17)18/h4-9H,10H2,1-3H3,(H,17,18)