5-[(4-tert-butylphenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[(4-tert-butylphenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(4-tert-butylphenyl)sulfanylmethyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[[(4-tert-butylphenyl)thio]methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(4-tert-butylphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[[(4-tert-butylphenyl)thio]methyl]-2-methyl-3-furoic acid Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC=C(C=C2)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC=C(C=C2)C(C)(C)C)C(=O)O

InChI

InChI=1S/C17H20O3S/c1-11-15(16(18)19)9-13(20-11)10-21-14-7-5-12(6-8-14)17(2,3)4/h5-9H,10H2,1-4H3,(H,18,19)