5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-methyl-3-furoic acid Formula: C15H14O5S MolecularWeight: 306.33366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=CC3=C(C=C2)OCCO3)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)CSC2=CC3=C(C=C2)OCCO3)C(=O)O

InChI

InChI=1S/C15H14O5S/c1-9-12(15(16)17)6-10(20-9)8-21-11-2-3-13-14(7-11)19-5-4-18-13/h2-3,6-7H,4-5,8H2,1H3,(H,16,17)