5-[(2,5-diethoxyphenyl)sulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2,5-diethoxyphenyl)sulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(2,5-diethoxyphenyl)sulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(2,5-diethoxyphenyl)thio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2,5-diethoxyphenyl)sulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(2,5-diethoxyphenyl)thio]methyl]-2-furoic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C16H18O5S/c1-3-19-11-5-7-13(20-4-2)15(9-11)22-10-12-6-8-14(21-12)16(17)18/h5-9H,3-4,10H2,1-2H3,(H,17,18)