(3Z)-7-(3-chloranylpropanoylamino)-4-oxidanylidene-3-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonic acid

Systemtic Name: (3Z)-7-(3-chloranylpropanoylamino)-4-oxidanylidene-3-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonic acid Openeye Name: (3Z)-7-(3-chloropropanoylamino)-4-oxo-3-[(4-sulfophenyl)hydrazono]naphthalene-2-sulfonic acid CAS Name: (3Z)-7-[(3-chloro-1-oxopropyl)amino]-4-oxo-3-[(4-sulfophenyl)hydrazinylidene]-2-naphthalenesulfonic acid IUPAC Name: (3Z)-7-(3-chloropropanoylamino)-4-oxo-3-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-sulfonic acid Traditional Name: (3Z)-7-(3-chloropropanoylamino)-4-keto-3-[(4-sulfophenyl)hydrazono]naphthalene-2-sulfonic acid Formula: C19H16ClN3O8S2 MolecularWeight: 513.92864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)CCCl)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)CCCl)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H16ClN3O8S2/c20-8-7-17(24)21-13-3-6-15-11(9-13)10-16(33(29,30)31)18(19(15)25)23-22-12-1-4-14(5-2-12)32(26,27)28/h1-6,9-10,22H,7-8H2,(H,21,24)(H,26,27,28)(H,29,30,31)/b23-18+