4-(4-carboxylatophenyl)sulfinylbenzoate; nickel(2+)

Systemtic Name: 4-(4-carboxylatophenyl)sulfinylbenzoate; nickel(2+) Openeye Name: nickelous 4-(4-carboxylatophenyl)sulfinylbenzoate CAS Name: 4-(4-carboxylatophenyl)sulfinylbenzoate; nickel(2+) IUPAC Name: 4-(4-carboxylatophenyl)sulfinylbenzoate; nickel(2+) Traditional Name: nickelous 4-(4-carboxylatophenyl)sulfinylbenzoate Formula: C14H8NiO5S MolecularWeight: 346.96872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])S(=O)C2=CC=C(C=C2)C(=O)[O-].[Ni+2]

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])S(=O)C2=CC=C(C=C2)C(=O)[O-].[Ni+2]

InChI

InChI=1S/C14H10O5S.Ni/c15-13(16)9-1-5-11(6-2-9)20(19)12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,15,16)(H,17,18);/q;+2/p-2