disodium 6-azanylidene-5-[2-[5-[(3-chlorophenyl)carbonylamino]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium 6-azanylidene-5-[2-[5-[(3-chlorophenyl)carbonylamino]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium 5-[2-[5-[(3-chlorobenzoyl)amino]-2-sulfonato-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: disodium 5-[[5-[[(3-chlorophenyl)-oxomethyl]amino]-2-sulfonatophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium 5-[2-[5-[(3-chlorobenzoyl)amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: disodium 5-[N'-[5-[(3-chlorobenzoyl)amino]-2-sulfonato-phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C23H15ClN4Na2O8S2 MolecularWeight: 620.94974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)[O-])NNC3=C4C(=CC(=CC4=O)S(=O)(=O)[O-])C=CC3=N.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC(=C(C=C2)S(=O)(=O)[O-])NNC3=C4C(=CC(=CC4=O)S(=O)(=O)[O-])C=CC3=N.[Na+].[Na+]

InChI

InChI=1S/C23H17ClN4O8S2.2Na/c24-14-3-1-2-13(8-14)23(30)26-15-5-7-20(38(34,35)36)18(10-15)27-28-22-17(25)6-4-12-9-16(37(31,32)33)11-19(29)21(12)22;;/h1-11,25,27-28H,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2