trilithium (3Z)-6-azanyl-3-[[2-methoxy-4-[(5-sulfonatonaphthalen-2-yl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trilithium (3Z)-6-azanyl-3-[[2-methoxy-4-[(5-sulfonatonaphthalen-2-yl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trilithium (3Z)-6-amino-3-[[2-methoxy-4-[(5-sulfonato-2-naphthyl)azo]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trilithium (3Z)-6-amino-3-[[2-methoxy-4-[(5-sulfonato-2-naphthalenyl)azo]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trilithium (3Z)-6-amino-3-[[2-methoxy-4-[(5-sulfonatonaphthalen-2-yl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trilithium (3Z)-6-amino-4-keto-3-[[2-methoxy-4-[(5-sulfonato-2-naphthyl)azo]phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C27H18Li3N5O11S3 MolecularWeight: 705.47672

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)[O-])NN=C4C(=CC5=CC(=C(C=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

[Li+].[Li+].[Li+].COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C2)C(=CC=C3)S(=O)(=O)[O-])N/N=C/4\C(=CC5=CC(=C(C=C5C4=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C27H21N5O11S3.3Li/c1-43-22-12-17(30-29-16-5-7-18-14(9-16)3-2-4-23(18)44(34,35)36)6-8-21(22)31-32-26-25(46(40,41)42)11-15-10-24(45(37,38)39)20(28)13-19(15)27(26)33;;;/h2-13,31H,28H2,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3/b30-29?,32-26+;;;