2-[[2-oxidanyl-4-oxidanylidene-3-(phenylmethylsulfanyl)-5H-indeno[1,2-b]pyran-8-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-oxidanyl-4-oxidanylidene-3-(phenylmethylsulfanyl)-5H-indeno[1,2-b]pyran-8-yl]oxy]ethanoic acid Openeye Name: 2-[(3-benzylsulfanyl-2-hydroxy-4-oxo-5H-indeno[1,2-b]pyran-8-yl)oxy]acetic acid CAS Name: 2-[[2-hydroxy-4-oxo-3-(phenylmethylthio)-5H-indeno[1,2-b]pyran-8-yl]oxy]acetic acid IUPAC Name: 2-[(3-benzylsulfanyl-2-hydroxy-4-oxo-5H-indeno[1,2-b]pyran-8-yl)oxy]acetic acid Traditional Name: 2-[[3-(benzylthio)-2-hydroxy-4-keto-5H-indeno[1,2-b]pyran-8-yl]oxy]acetic acid Formula: C21H16O6S MolecularWeight: 396.41314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)OCC(=O)O)C3=C1C(=O)C(=C(O3)O)SCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=C(C=C2)OCC(=O)O)C3=C1C(=O)C(=C(O3)O)SCC4=CC=CC=C4

InChI

InChI=1S/C21H16O6S/c22-17(23)10-26-14-7-6-13-8-16-18(24)20(21(25)27-19(16)15(13)9-14)28-11-12-4-2-1-3-5-12/h1-7,9,25H,8,10-11H2,(H,22,23)