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

Systemtic Name: 3-[[3-[2-(4-methoxy-3-oxidanyl-phenyl)ethyl]-4-oxidanylidene-2H-1,2-benzoxazol-6-yl]oxy]propane-1-sulfonic acid Openeye Name: 3-[[3-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]propane-1-sulfonic acid CAS Name: 3-[[3-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[[3-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-4-oxo-2H-1,2-benzoxazol-6-yl]oxy]propane-1-sulfonic acid Traditional Name: 3-[[3-[2-(3-hydroxy-4-methoxy-phenyl)ethyl]-4-keto-2H-indoxazen-6-yl]oxy]propane-1-sulfonic acid Formula: C19H21NO8S MolecularWeight: 423.43694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=CC3=O)OCCCS(=O)(=O)O)ON2)O

Isomeric SMILES

COC1=C(C=C(C=C1)CCC2=C3C(=CC(=CC3=O)OCCCS(=O)(=O)O)ON2)O

InChI

InChI=1S/C19H21NO8S/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)