trisodium (3Z)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazinylidene]-5-[(2E)-2-[(5E)-5-[(2-methoxy-5-sulfonato-phenyl)hydrazinylidene]-4,6-bis(oxidanylidene)cyclohex-2-en-1-ylidene]hydrazinyl]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazinylidene]-5-[(2E)-2-[(5E)-5-[(2-methoxy-5-sulfonato-phenyl)hydrazinylidene]-4,6-bis(oxidanylidene)cyclohex-2-en-1-ylidene]hydrazinyl]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-5-[(2E)-2-[(5E)-5-[(2-methoxy-5-sulfonato-phenyl)hydrazono]-4,6-dioxo-cyclohex-2-en-1-ylidene]hydrazino]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-5-[(2E)-2-[(5E)-5-[(2-methoxy-5-sulfonatophenyl)hydrazinylidene]-4,6-dioxo-1-cyclohex-2-enylidene]hydrazinyl]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-3-[[4-[4-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-5-[(2E)-2-[(5E)-5-[(2-methoxy-5-sulfonatophenyl)hydrazinylidene]-4,6-dioxocyclohex-2-en-1-ylidene]hydrazinyl]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-3-[[4-[4-[(N'Z)-N'-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]-5-[(N'E)-N'-[(5E)-4,6-diketo-5-[(2-methoxy-5-sulfonato-phenyl)hydrazono]cyclohex-2-en-1-ylidene]hydrazino]-4-keto-naphthalene-2,7-disulfonate Formula: C44H31N8Na3O18S3 MolecularWeight: 1124.92405

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NN=C2C(=O)C=CC(=NNC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=NNC5=C(C=C(C=C5)C6=CC(=C(C=C6)NN=C7C=CC(=O)C(=C7)C(=O)O)OC)OC)C4=O)S(=O)(=O)[O-])C2=O.[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N/N=C/2\C(=O)C=C/C(=N\NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N\NC5=C(C=C(C=C5)C6=CC(=C(C=C6)N/N=C\7/C=CC(=O)C(=C7)C(=O)O)OC)OC)/C4=O)S(=O)(=O)[O-])/C2=O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C44H34N8O18S3.3Na/c1-68-35-13-7-25(71(59,60)61)19-31(35)49-51-40-34(54)12-10-30(42(40)55)48-50-32-20-26(72(62,63)64)14-23-17-38(73(65,66)67)41(43(56)39(23)32)52-47-29-9-5-22(16-37(29)70-3)21-4-8-28(36(15-21)69-2)46-45-24-6-11-33(53)27(18-24)44(57)58;;;/h4-20,46-47,49-50H,1-3H3,(H,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;/q;3*+1/p-3/b45-24-,48-30+,51-40+,52-41+;;;