2-[(8-thiocyanato-3,4-dihydro-2H-chromen-5-yl)oxy]ethanoic acid

Systemtic Name: 2-[(8-thiocyanato-3,4-dihydro-2H-chromen-5-yl)oxy]ethanoic acid Openeye Name: 2-(8-thiocyanatochroman-5-yl)oxyacetic acid CAS Name: 2-[(8-thiocyanato-3,4-dihydro-2H-1-benzopyran-5-yl)oxy]acetic acid IUPAC Name: 2-[(8-thiocyanato-3,4-dihydro-2H-chromen-5-yl)oxy]acetic acid Traditional Name: 2-(8-thiocyanatochroman-5-yl)oxyacetic acid Formula: C12H11NO4S MolecularWeight: 265.28504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2OC1)SC#N)OCC(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2OC1)SC#N)OCC(=O)O

InChI

InChI=1S/C12H11NO4S/c13-7-18-10-4-3-9(17-6-11(14)15)8-2-1-5-16-12(8)10/h3-4H,1-2,5-6H2,(H,14,15)