trilithium (3E)-5-benzamido-4-oxidanylidene-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trilithium (3E)-5-benzamido-4-oxidanylidene-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trilithium (3E)-5-benzamido-4-oxo-3-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: trilithium (3E)-5-benzamido-4-oxo-3-[(1-sulfonato-2-naphthalenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trilithium (3E)-5-benzamido-4-oxo-3-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trilithium (3E)-5-benzamido-4-keto-3-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2,7-disulfonate Formula: C27H16Li3N3O11S3 MolecularWeight: 675.44744

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].[Li+].C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])C3=O)S(=O)(=O)[O-]

Isomeric SMILES

[Li+].[Li+].[Li+].C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])/C3=O)S(=O)(=O)[O-]

InChI

InChI=1S/C27H19N3O11S3.3Li/c31-25-23-17(12-18(42(33,34)35)14-21(23)28-27(32)16-7-2-1-3-8-16)13-22(43(36,37)38)24(25)30-29-20-11-10-15-6-4-5-9-19(15)26(20)44(39,40)41;;;/h1-14,29H,(H,28,32)(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3/b30-24-;;;