zinc 1-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]iminomethyl]naphthalen-2-olate dihydrate

Systemtic Name: zinc 1-[[4-[bis(azanyl)methylideneamino]sulfonylphenyl]iminomethyl]naphthalen-2-olate dihydrate Openeye Name: zinc 1-[(4-guanidinosulfonylphenyl)iminomethyl]naphthalen-2-olate dihydrate CAS Name: zinc 1-[[4-(diaminomethylideneamino)sulfonylphenyl]iminomethyl]-2-naphthalenolate dihydrate IUPAC Name: zinc 1-[[4-(diaminomethylideneamino)sulfonylphenyl]iminomethyl]naphthalen-2-olate dihydrate Traditional Name: zinc 1-[(4-guanidinosulfonylphenyl)iminomethyl]naphthalen-2-olate dihydrate Formula: C36H34N8O8S2Zn MolecularWeight: 836.24296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)[O-].C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)[O-].O.O.[Zn+2]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)[O-].C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)[O-].O.O.[Zn+2]

InChI

InChI=1S/2C18H16N4O3S.2H2O.Zn/c2*19-18(20)22-26(24,25)14-8-6-13(7-9-14)21-11-16-15-4-2-1-3-12(15)5-10-17(16)23;;;/h2*1-11,23H,(H4,19,20,22);2*1H2;/q;;;;+2/p-2