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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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