5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(indan-5-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(2,3-dihydro-1H-inden-5-ylthio)methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(indan-5-ylthio)methyl]-2-methyl-3-furoic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC3=C(CCC3)C=C2)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC3=C(CCC3)C=C2)C(=O)O

InChI

InChI=1S/C16H16O3S/c1-10-15(16(17)18)8-13(19-10)9-20-14-6-5-11-3-2-4-12(11)7-14/h5-8H,2-4,9H2,1H3,(H,17,18)