4-(2-carboxylatophenyl)sulfanyl-5-methyl-furan-2-carboxylate

Systemtic Name: 4-(2-carboxylatophenyl)sulfanyl-5-methyl-furan-2-carboxylate Openeye Name: 4-(2-carboxylatophenyl)sulfanyl-5-methyl-furan-2-carboxylate CAS Name: 4-[(2-carboxylatophenyl)thio]-5-methyl-2-furancarboxylate IUPAC Name: 4-(2-carboxylatophenyl)sulfanyl-5-methylfuran-2-carboxylate Traditional Name: 4-[(2-carboxylatophenyl)thio]-5-methyl-2-furoate Formula: C13H8O5S-2 MolecularWeight: 276.26462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])SC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])SC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H10O5S/c1-7-11(6-9(18-7)13(16)17)19-10-5-3-2-4-8(10)12(14)15/h2-6H,1H3,(H,14,15)(H,16,17)/p-2