5-tert-butyl-2-[(2-carboxyphenyl)sulfanylmethyl]furan-3-carboxylic acid

Systemtic Name: 5-tert-butyl-2-[(2-carboxyphenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 5-tert-butyl-2-[(2-carboxyphenyl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 5-tert-butyl-2-[[(2-carboxyphenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 5-tert-butyl-2-[(2-carboxyphenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 5-tert-butyl-2-[[(2-carboxyphenyl)thio]methyl]-3-furoic acid Formula: C17H18O5S MolecularWeight: 334.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(O1)CSC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(O1)CSC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C17H18O5S/c1-17(2,3)14-8-11(16(20)21)12(22-14)9-23-13-7-5-4-6-10(13)15(18)19/h4-8H,9H2,1-3H3,(H,18,19)(H,20,21)