2-[(3Z)-3-[(2-methoxy-5-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalen-1-yl]oxypropanoic acid

Systemtic Name: 2-[(3Z)-3-[(2-methoxy-5-sulfo-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalen-1-yl]oxypropanoic acid Openeye Name: 2-[[(3Z)-3-[(2-methoxy-5-sulfo-phenyl)hydrazono]-4-oxo-1-naphthyl]oxy]propanoic acid CAS Name: 2-[[(3Z)-3-[(2-methoxy-5-sulfophenyl)hydrazinylidene]-4-oxo-1-naphthalenyl]oxy]propanoic acid IUPAC Name: 2-[(3Z)-3-[(2-methoxy-5-sulfophenyl)hydrazinylidene]-4-oxonaphthalen-1-yl]oxypropanoic acid Traditional Name: 2-[(3Z)-4-keto-3-[(2-methoxy-5-sulfo-phenyl)hydrazono]-1-naphthoxy]propionic acid Formula: C20H18N2O8S MolecularWeight: 446.43052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC(=NNC2=C(C=CC(=C2)S(=O)(=O)O)OC)C(=O)C3=CC=CC=C31

Isomeric SMILES

CC(C(=O)O)OC1=C/C(=N/NC2=C(C=CC(=C2)S(=O)(=O)O)OC)/C(=O)C3=CC=CC=C31

InChI

InChI=1S/C20H18N2O8S/c1-11(20(24)25)30-18-10-16(19(23)14-6-4-3-5-13(14)18)22-21-15-9-12(31(26,27)28)7-8-17(15)29-2/h3-11,21H,1-2H3,(H,24,25)(H,26,27,28)/b22-16-