disodium 2-[2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate tetrahydrate

Systemtic Name: disodium 2-[2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate tetrahydrate Openeye Name: disodium 2-[2-(2-oxo-1-naphthylidene)hydrazino]-5-(4-sulfonatophenyl)azo-benzenesulfonate tetrahydrate CAS Name: disodium 2-[2-(2-oxo-1-naphthalenylidene)hydrazinyl]-5-(4-sulfonatophenyl)azobenzenesulfonate tetrahydrate IUPAC Name: disodium 2-[2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-5-[(4-sulfonatophenyl)diazenyl]benzenesulfonate tetrahydrate Traditional Name: disodium 2-[N'-(2-keto-1-naphthylidene)hydrazino]-5-(4-sulfonatophenyl)azo-besylate tetrahydrate Formula: C22H22N4Na2O11S2 MolecularWeight: 628.53982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=O)C2=NNC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].O.O.O.O.[Na+].[Na+]

InChI

InChI=1S/C22H16N4O7S2.2Na.4H2O/c27-20-12-5-14-3-1-2-4-18(14)22(20)26-25-19-11-8-16(13-21(19)35(31,32)33)24-23-15-6-9-17(10-7-15)34(28,29)30;;;;;;/h1-13,25H,(H,28,29,30)(H,31,32,33);;;4*1H2/q;2*+1;;;;/p-2