4-[(2-tert-butyl-5-carboxy-furan-3-yl)methylsulfanylmethyl]-2,5-dimethyl-furan-3-carboxylic acid

Systemtic Name: 4-[(2-tert-butyl-5-carboxy-furan-3-yl)methylsulfanylmethyl]-2,5-dimethyl-furan-3-carboxylic acid Openeye Name: 4-[(2-tert-butyl-5-carboxy-3-furyl)methylsulfanylmethyl]-2,5-dimethyl-furan-3-carboxylic acid CAS Name: 4-[[(2-tert-butyl-5-carboxy-3-furanyl)methylthio]methyl]-2,5-dimethyl-3-furancarboxylic acid IUPAC Name: 4-[(2-tert-butyl-5-carboxyfuran-3-yl)methylsulfanylmethyl]-2,5-dimethylfuran-3-carboxylic acid Traditional Name: 4-[[(2-tert-butyl-5-carboxy-3-furyl)methylthio]methyl]-2,5-dimethyl-3-furoic acid Formula: C18H22O6S MolecularWeight: 366.42868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)C(=O)O)CSCC2=C(OC(=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=C(O1)C)C(=O)O)CSCC2=C(OC(=C2)C(=O)O)C(C)(C)C

InChI

InChI=1S/C18H22O6S/c1-9-12(14(17(21)22)10(2)23-9)8-25-7-11-6-13(16(19)20)24-15(11)18(3,4)5/h6H,7-8H2,1-5H3,(H,19,20)(H,21,22)