trilithium (6E)-3-azanyl-6-[[2-methoxy-4-[(5-sulfonatonaphthalen-2-yl)diazenyl]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfinatooxy-naphthalene-2-sulfonate

Systemtic Name: trilithium (6E)-3-azanyl-6-[[2-methoxy-4-[(5-sulfonatonaphthalen-2-yl)diazenyl]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfinatooxy-naphthalene-2-sulfonate Openeye Name: trilithium (6E)-3-amino-6-[[2-methoxy-4-[(5-sulfonato-2-naphthyl)azo]phenyl]hydrazono]-5-oxo-7-sulfinatooxy-naphthalene-2-sulfonate CAS Name: trilithium (6E)-3-amino-6-[[2-methoxy-4-[(5-sulfonato-2-naphthalenyl)azo]phenyl]hydrazinylidene]-5-oxo-7-sulfinatooxy-2-naphthalenesulfonate IUPAC Name: trilithium (6E)-3-amino-6-[[2-methoxy-4-[(5-sulfonatonaphthalen-2-yl)diazenyl]phenyl]hydrazinylidene]-5-oxo-7-sulfinatooxynaphthalene-2-sulfonate Traditional Name: trilithium (6E)-3-amino-5-keto-6-[[2-methoxy-4-[(5-sulfonato-2-naphthyl)azo]phenyl]hydrazono]-7-sulfito-naphthalene-2-sulfonate 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-])OS(=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-])OS(=O)[O-]

InChI

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