sodium (3Z)-7-(2-chloranylethanoylamino)-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2-sulfonate

Systemtic Name: sodium (3Z)-7-(2-chloranylethanoylamino)-4-oxidanylidene-3-(phenylhydrazinylidene)naphthalene-2-sulfonate Openeye Name: sodium (3Z)-7-[(2-chloroacetyl)amino]-4-oxo-3-(phenylhydrazono)naphthalene-2-sulfonate CAS Name: sodium (3Z)-7-[(2-chloro-1-oxoethyl)amino]-4-oxo-3-(phenylhydrazinylidene)-2-naphthalenesulfonate IUPAC Name: sodium (3Z)-7-[(2-chloroacetyl)amino]-4-oxo-3-(phenylhydrazinylidene)naphthalene-2-sulfonate Traditional Name: sodium (3Z)-7-[(2-chloroacetyl)amino]-4-keto-3-(phenylhydrazono)naphthalene-2-sulfonate Formula: C18H13ClN3NaO5S MolecularWeight: 441.82069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)CCl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)CCl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H14ClN3O5S.Na/c19-10-16(23)20-13-6-7-14-11(8-13)9-15(28(25,26)27)17(18(14)24)22-21-12-4-2-1-3-5-12;/h1-9,21H,10H2,(H,20,23)(H,25,26,27);/q;+1/p-1/b22-17+;