tetrasodium (3E)-5-azanyl-3-[[2-methoxy-5-methyl-4-[(2Z)-2-(8-oxidanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: tetrasodium (3E)-5-azanyl-3-[[2-methoxy-5-methyl-4-[(2Z)-2-(8-oxidanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: tetrasodium (3E)-5-amino-3-[[4-[(2Z)-2-(8-hydroxy-1-oxo-3,6-disulfonato-2-naphthylidene)hydrazino]-2-methoxy-5-methyl-phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: tetrasodium (3E)-5-amino-3-[[4-[(2Z)-2-(8-hydroxy-1-oxo-3,6-disulfonato-2-naphthalenylidene)hydrazinyl]-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: tetrasodium (3E)-5-amino-3-[[4-[(2Z)-2-(8-hydroxy-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-2-methoxy-5-methylphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: tetrasodium (3E)-5-amino-3-[[4-[(N'Z)-N'-(8-hydroxy-1-keto-3,6-disulfonato-2-naphthylidene)hydrazino]-2-methoxy-5-methyl-phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C28H19N5Na4O16S4 MolecularWeight: 901.69344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C4C(=CC5=CC(=CC(=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N/N=C\4/C(=CC5=CC(=CC(=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H23N5O16S4.4Na/c1-11-3-18(31-33-25-21(52(43,44)45)6-12-4-14(50(37,38)39)8-16(29)23(12)27(25)35)20(49-2)10-17(11)30-32-26-22(53(46,47)48)7-13-5-15(51(40,41)42)9-19(34)24(13)28(26)36;;;;/h3-10,30-31,34H,29H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4/b32-26+,33-25-;;;;