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

Systemtic Name: hexasodium (3Z)-4-azanyl-3-[[4-[4-[(2E)-2-(8-azanyl-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene)hydrazinyl]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: hexasodium (3Z)-4-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthylidene)hydrazino]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazono]-5-oxo-naphthalene-2,7-disulfonate CAS Name: hexasodium (3Z)-4-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonato-2-naphthalenylidene)hydrazinyl]-2-sulfonatophenyl]-3-sulfonatophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate IUPAC Name: hexasodium (3Z)-4-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-2-sulfonatophenyl]-3-sulfonatophenyl]hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate Traditional Name: hexasodium (3Z)-4-amino-3-[[4-[4-[(N'E)-N'-(8-amino-1-keto-3,6-disulfonato-2-naphthylidene)hydrazino]-2-sulfonato-phenyl]-3-sulfonato-phenyl]hydrazono]-5-keto-naphthalene-2,7-disulfonate Formula: C32H18N6Na6O20S6 MolecularWeight: 1136.84214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NN=C2C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C4=C(C=C(C=C4)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N/N=C/2\C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C4=C(C=C(C=C4)N/N=C\5/C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C32H24N6O20S6.6Na/c33-21-11-17(59(41,42)43)5-13-7-26(64(56,57)58)31(32(40)27(13)21)38-36-16-2-4-20(24(10-16)62(50,51)52)19-3-1-15(9-23(19)61(47,48)49)35-37-30-25(63(53,54)55)8-14-6-18(60(44,45)46)12-22(39)28(14)29(30)34;;;;;;/h1-12,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;;;/q;6*+1/p-6/b37-30+,38-31-;;;;;;