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

Systemtic Name: 2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]furan-3-carboxylic acid Openeye Name: 2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]furan-3-carboxylic acid CAS Name: 2-methyl-5-[[(4-nitrophenyl)thio]methyl]-3-furancarboxylic acid IUPAC Name: 2-methyl-5-[(4-nitrophenyl)sulfanylmethyl]furan-3-carboxylic acid Traditional Name: 2-methyl-5-[[(4-nitrophenyl)thio]methyl]-3-furoic acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H11NO5S/c1-8-12(13(15)16)6-10(19-8)7-20-11-4-2-9(3-5-11)14(17)18/h2-6H,7H2,1H3,(H,15,16)