2-[5-(2-methylpropoxycarbonyl)furan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[5-(2-methylpropoxycarbonyl)furan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[(5-isobutoxycarbonyl-2-furyl)sulfanyl]benzoic acid CAS Name: 2-[[5-[2-methylpropoxy(oxo)methyl]-2-furanyl]thio]benzoic acid IUPAC Name: 2-[5-(2-methylpropoxycarbonyl)furan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[(5-isobutoxycarbonyl-2-furyl)thio]benzoic acid Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(O1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(O1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H16O5S/c1-10(2)9-20-16(19)12-7-8-14(21-12)22-13-6-4-3-5-11(13)15(17)18/h3-8,10H,9H2,1-2H3,(H,17,18)