tetrasodium 4-ethanoylimino-3-oxidanylidene-2-[[7-sulfonato-2-[2-(4-sulfonatophenyl)hydrazinyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonate

Systemtic Name: tetrasodium 4-ethanoylimino-3-oxidanylidene-2-[[7-sulfonato-2-[2-(4-sulfonatophenyl)hydrazinyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonate Openeye Name: tetrasodium 4-acetylimino-3-oxo-2-[[7-sulfonato-2-[2-(4-sulfonatophenyl)hydrazino]-1-naphthyl]azo]naphthalene-1,7-disulfonate CAS Name: tetrasodium 4-acetylimino-3-oxo-2-[[7-sulfonato-2-[(4-sulfonatophenyl)hydrazo]-1-naphthalenyl]azo]naphthalene-1,7-disulfonate IUPAC Name: tetrasodium 4-acetylimino-3-oxo-2-[[7-sulfonato-2-[2-(4-sulfonatophenyl)hydrazinyl]naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonate Traditional Name: tetrasodium 4-acetylimino-3-keto-2-[[7-sulfonato-2-[N'-(4-sulfonatophenyl)hydrazino]-1-naphthyl]azo]naphthalene-1,7-disulfonate Formula: C28H17N5Na4O14S4 MolecularWeight: 867.67876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C(C1=O)N=NC3=C(C=CC4=C3C=C(C=C4)S(=O)(=O)[O-])NNC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=O)N=C1C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C(C1=O)N=NC3=C(C=CC4=C3C=C(C=C4)S(=O)(=O)[O-])NNC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H21N5O14S4.4Na/c1-14(34)29-25-20-10-9-19(50(42,43)44)13-22(20)28(51(45,46)47)26(27(25)35)33-32-24-21-12-18(49(39,40)41)6-2-15(21)3-11-23(24)31-30-16-4-7-17(8-5-16)48(36,37)38;;;;/h2-13,30-31H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4