4-dodecyl-2-(5-dodecyl-2-oxidanidyl-phenyl)sulfonyl-phenolate; nickel(2+)

Systemtic Name: 4-dodecyl-2-(5-dodecyl-2-oxidanidyl-phenyl)sulfonyl-phenolate; nickel(2+) Openeye Name: nickelous 4-dodecyl-2-(5-dodecyl-2-oxido-phenyl)sulfonyl-phenolate CAS Name: 4-dodecyl-2-(5-dodecyl-2-oxidophenyl)sulfonylphenolate; nickel(2+) IUPAC Name: 4-dodecyl-2-(5-dodecyl-2-oxidophenyl)sulfonylphenolate; nickel(2+) Traditional Name: nickelous 4-lauryl-2-(5-lauryl-2-oxido-phenyl)sulfonyl-phenolate Formula: C36H56NiO4S MolecularWeight: 643.58584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])S(=O)(=O)C2=C(C=CC(=C2)CCCCCCCCCCCC)[O-].[Ni+2]

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)[O-])S(=O)(=O)C2=C(C=CC(=C2)CCCCCCCCCCCC)[O-].[Ni+2]

InChI

InChI=1S/C36H58O4S.Ni/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-33(37)35(29-31)41(39,40)36-30-32(26-28-34(36)38)24-22-20-18-16-14-12-10-8-6-4-2;/h25-30,37-38H,3-24H2,1-2H3;/q;+2/p-2