lithium disodium (3Z)-5-azanyl-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxidanylidene-4-sulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: lithium disodium (3Z)-5-azanyl-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxidanylidene-4-sulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: lithium disodium (3Z)-5-amino-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonato-2-naphthylidene)hydrazino]phenyl]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: lithium disodium (3Z)-5-amino-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonato-2-naphthalenylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: lithium disodium (3Z)-5-amino-3-[[2-methoxy-4-[3-methoxy-4-[(2Z)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: lithium disodium (3Z)-5-amino-4-keto-3-[[4-[4-[(N'Z)-N'-(1-keto-4-sulfonato-2-naphthylidene)hydrazino]-3-methoxy-phenyl]-2-methoxy-phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C34H24LiN5Na2O13S3 MolecularWeight: 859.6956

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NN=C5C=C(C6=CC=CC=C6C5=O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

[Li+].COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N/N=C\5/C=C(C6=CC=CC=C6C5=O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C34H27N5O13S3.Li.2Na/c1-51-27-12-17(7-9-24(27)36-38-26-16-29(54(45,46)47)21-5-3-4-6-22(21)33(26)40)18-8-10-25(28(13-18)52-2)37-39-32-30(55(48,49)50)14-19-11-20(53(42,43)44)15-23(35)31(19)34(32)41;;;/h3-16,36-37H,35H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b38-26-,39-32+;;;