(4E)-4-[(3-chloranyl-2-ethyl-5-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylic acid

Systemtic Name: (4E)-4-[(3-chloranyl-2-ethyl-5-sulfo-phenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxylic acid Openeye Name: (4E)-4-[(3-chloro-2-ethyl-5-sulfo-phenyl)hydrazono]-3-oxo-naphthalene-2-carboxylic acid CAS Name: (4E)-4-[(3-chloro-2-ethyl-5-sulfophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxylic acid IUPAC Name: (4E)-4-[(3-chloro-2-ethyl-5-sulfophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylic acid Traditional Name: (4E)-4-[(3-chloro-2-ethyl-5-sulfo-phenyl)hydrazono]-3-keto-2-naphthoic acid Formula: C19H15ClN2O6S MolecularWeight: 434.8502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

CCC1=C(C=C(C=C1N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C19H15ClN2O6S/c1-2-12-15(20)8-11(29(26,27)28)9-16(12)21-22-17-13-6-4-3-5-10(13)7-14(18(17)23)19(24)25/h3-9,21H,2H2,1H3,(H,24,25)(H,26,27,28)/b22-17+