trisodium 4-[(2E)-2-[1-oxidanylidene-6-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]benzoate

Systemtic Name: trisodium 4-[(2E)-2-[1-oxidanylidene-6-[(5-oxidanyl-7-sulfonato-naphthalen-2-yl)carbamoylamino]-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]benzoate Openeye Name: trisodium 4-[(2E)-2-[6-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]benzoate CAS Name: trisodium 4-[(2E)-2-[6-[[[(5-hydroxy-7-sulfonato-2-naphthalenyl)amino]-oxomethyl]amino]-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]benzoate IUPAC Name: trisodium 4-[(2E)-2-[6-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]benzoate Traditional Name: trisodium 4-[(N'E)-N'-[6-[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoylamino]-1-keto-3-sulfonato-2-naphthylidene]hydrazino]benzoate Formula: C28H17N4Na3O11S2 MolecularWeight: 718.55409

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=CC(=CC(=C5C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H20N4O11S2.3Na/c33-23-13-20(44(38,39)40)11-15-9-18(5-7-21(15)23)29-28(37)30-19-6-8-22-16(10-19)12-24(45(41,42)43)25(26(22)34)32-31-17-3-1-14(2-4-17)27(35)36;;;/h1-13,31,33H,(H,35,36)(H2,29,30,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3/b32-25-;;;