nickel(2+); 1-phenylheptadecane-1-sulfonic acid

Systemtic Name: nickel(2+); 1-phenylheptadecane-1-sulfonic acid Openeye Name: nickelous 1-phenylheptadecane-1-sulfonic acid CAS Name: nickel(2+); 1-phenyl-1-heptadecanesulfonic acid IUPAC Name: nickel(2+); 1-phenylheptadecane-1-sulfonic acid Traditional Name: nickelous 1-phenylheptadecane-1-sulfonic acid Formula: C23H40NiO3S+2 MolecularWeight: 455.3203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)S(=O)(=O)O.[Ni+2]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)S(=O)(=O)O.[Ni+2]

InChI

InChI=1S/C23H40O3S.Ni/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23(27(24,25)26)22-19-16-15-17-20-22;/h15-17,19-20,23H,2-14,18,21H2,1H3,(H,24,25,26);/q;+2