disodium 4-[2-[(3Z,5Z)-5-[(Z)-(4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-3-[(4-nitrophenyl)hydrazinylidene]-4,6-bis(oxidanylidene)cyclohexen-1-yl]hydrazinyl]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium 4-[2-[(3Z,5Z)-5-[(Z)-(4-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-3-[(4-nitrophenyl)hydrazinylidene]-4,6-bis(oxidanylidene)cyclohexen-1-yl]hydrazinyl]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: disodium 4-hydroxy-5-[2-[(3Z,5Z)-5-[(Z)-(4-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazono]-3-[(4-nitrophenyl)hydrazono]-4,6-dioxo-cyclohexen-1-yl]hydrazino]naphthalene-2,7-disulfonate CAS Name: disodium 4-hydroxy-5-[[(3Z,5Z)-5-[(Z)-(4-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinylidene]-3-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxo-1-cyclohexenyl]hydrazo]naphthalene-2,7-disulfonate IUPAC Name: disodium 4-hydroxy-5-[2-[(3Z,5Z)-5-[(Z)-(4-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-3-[(4-nitrophenyl)hydrazinylidene]-4,6-dioxocyclohexen-1-yl]hydrazinyl]naphthalene-2,7-disulfonate Traditional Name: disodium 4-[N'-[(3Z,5Z)-4,6-diketo-5-[(Z)-(6-keto-4-nitro-cyclohexa-2,4-dien-1-ylidene)hydrazono]-3-[(4-nitrophenyl)hydrazono]cyclohexen-1-yl]hydrazino]-5-hydroxy-naphthalene-2,7-disulfonate Formula: C28H16N8Na2O14S2 MolecularWeight: 798.58138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=C(C(=O)C(=NN=C3C=CC(=CC3=O)[N+](=O)[O-])C2=O)NNC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C=C(C(=O)/C(=N/N=C\3/C=CC(=CC3=O)[N+](=O)[O-])/C2=O)NNC4=C5C(=CC(=C4)S(=O)(=O)[O-])C=C(C=C5O)S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H18N8O14S2.2Na/c37-23-9-16(36(43)44)5-6-19(23)30-34-26-27(39)21(32-29-14-1-3-15(4-2-14)35(41)42)12-22(28(26)40)33-31-20-10-17(51(45,46)47)7-13-8-18(52(48,49)50)11-24(38)25(13)20;;/h1-12,29,31,33,38H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b30-19-,32-21-,34-26+;;