nickel; 2-(2-oxidanylidene-4-thia-1-azaspiro[4.5]decan-1-yl)benzoic acid

Systemtic Name: nickel; 2-(2-oxidanylidene-4-thia-1-azaspiro[4.5]decan-1-yl)benzoic acid Openeye Name: nickel; 2-(2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)benzoic acid CAS Name: nickel; 2-(2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)benzoic acid IUPAC Name: nickel; 2-(2-oxo-4-thia-1-azaspiro[4.5]decan-1-yl)benzoic acid Traditional Name: 2-(2-keto-4-thia-1-azaspiro[4.5]decan-1-yl)benzoic acid; nickel Formula: C30H34N2NiO6S2 MolecularWeight: 641.42416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)N(C(=O)CS2)C3=CC=CC=C3C(=O)O.C1CCC2(CC1)N(C(=O)CS2)C3=CC=CC=C3C(=O)O.[Ni]

Isomeric SMILES

C1CCC2(CC1)N(C(=O)CS2)C3=CC=CC=C3C(=O)O.C1CCC2(CC1)N(C(=O)CS2)C3=CC=CC=C3C(=O)O.[Ni]

InChI

InChI=1S/2C15H17NO3S.Ni/c2*17-13-10-20-15(8-4-1-5-9-15)16(13)12-7-3-2-6-11(12)14(18)19;/h2*2-3,6-7H,1,4-5,8-10H2,(H,18,19);