disodium 5-[2-(4-acetamido-2-sulfo-phenyl)hydrazinyl]-6-azanylidene-4-oxidanylidene-naphthalene-1,2-disulfonate

Systemtic Name: disodium 5-[2-(4-acetamido-2-sulfo-phenyl)hydrazinyl]-6-azanylidene-4-oxidanylidene-naphthalene-1,2-disulfonate Openeye Name: disodium 5-[2-(4-acetamido-2-sulfo-phenyl)hydrazino]-6-imino-4-oxo-naphthalene-1,2-disulfonate CAS Name: disodium 5-[(4-acetamido-2-sulfophenyl)hydrazo]-6-imino-4-oxonaphthalene-1,2-disulfonate IUPAC Name: disodium 5-[2-(4-acetamido-2-sulfophenyl)hydrazinyl]-6-imino-4-oxonaphthalene-1,2-disulfonate Traditional Name: disodium 5-[N'-(4-acetamido-2-sulfo-phenyl)hydrazino]-6-imino-4-keto-naphthalene-1,2-disulfonate Formula: C18H14N4Na2O11S3 MolecularWeight: 604.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NNC2=C3C(=C(C(=CC3=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NNC2=C3C(=C(C(=CC3=O)S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C18H16N4O11S3.2Na/c1-8(23)20-9-2-5-12(14(6-9)34(25,26)27)21-22-17-11(19)4-3-10-16(17)13(24)7-15(35(28,29)30)18(10)36(31,32)33;;/h2-7,19,21-22H,1H3,(H,20,23)(H,25,26,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2