disodium 6-azanylidene-5-[2-(4-chloranyl-5-methyl-2-sulfonato-phenyl)hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium 6-azanylidene-5-[2-(4-chloranyl-5-methyl-2-sulfonato-phenyl)hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium 5-[2-(4-chloro-5-methyl-2-sulfonato-phenyl)hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: disodium 5-[(4-chloro-5-methyl-2-sulfonatophenyl)hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium 5-[2-(4-chloro-5-methyl-2-sulfonatophenyl)hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: disodium 5-[N'-(4-chloro-5-methyl-2-sulfonato-phenyl)hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C17H12ClN3Na2O7S2 MolecularWeight: 515.85562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N.[Na+].[Na+]

InChI

InChI=1S/C17H14ClN3O7S2.2Na/c1-8-4-13(15(7-11(8)18)30(26,27)28)20-21-17-12(19)3-2-9-5-10(29(23,24)25)6-14(22)16(9)17;;/h2-7,19-21H,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2