disodium (3Z)-7-(3-chloranylpropanoylamino)-4-oxidanylidene-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-7-(3-chloranylpropanoylamino)-4-oxidanylidene-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-(3-chloropropanoylamino)-4-oxo-3-[(4-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-[(3-chloro-1-oxopropyl)amino]-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-(3-chloropropanoylamino)-4-oxo-3-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-(3-chloropropanoylamino)-4-keto-3-[(4-sulfonatophenyl)hydrazono]naphthalene-2-sulfonate Formula: C19H14ClN3Na2O8S2 MolecularWeight: 557.8923

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C19H16ClN3O8S2.2Na/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);;/q;2*+1/p-2/b23-18+;;