potassium 3-[[3-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]-4-oxidanylidene-2H-1,2-benzoxazol-6-yl]oxy]propane-1-sulfonate

Systemtic Name: potassium 3-[[3-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]-4-oxidanylidene-2H-1,2-benzoxazol-6-yl]oxy]propane-1-sulfonate Openeye Name: potassium 3-[[3-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]propane-1-sulfonate CAS Name: potassium 3-[[3-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]-1-propanesulfonate IUPAC Name: potassium 3-[[3-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]propane-1-sulfonate Traditional Name: potassium 3-[[3-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-4-keto-2H-indoxazen-6-yl]oxy]propane-1-sulfonate Formula: C19H20KNO8S MolecularWeight: 461.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=CC3=O)OCCCS(=O)(=O)[O-])ON2)O.[K+]

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=CC3=O)OCCCS(=O)(=O)[O-])ON2)O.[K+]

InChI

InChI=1S/C19H21NO8S.K/c1-26-17-6-4-12(9-15(17)21)3-5-14-19-16(22)10-13(11-18(19)28-20-14)27-7-2-8-29(23,24)25;/h4,6,9-11,20-21H,2-3,5,7-8H2,1H3,(H,23,24,25);/q;+1/p-1