[4-methyl-2-(5-methyl-2-oxidanyl-phenyl)sulfanyl-phenyl]oxidanium; 4-methylphenol; (4-methylphenyl)oxidanium; nickel

Systemtic Name: [4-methyl-2-(5-methyl-2-oxidanyl-phenyl)sulfanyl-phenyl]oxidanium; 4-methylphenol; (4-methylphenyl)oxidanium; nickel Openeye Name: [2-(2-hydroxy-5-methyl-phenyl)sulfanyl-4-methyl-phenyl]oxonium; nickel; p-cresol; p-tolyloxonium CAS Name: [2-[(2-hydroxy-5-methylphenyl)thio]-4-methylphenyl]oxonium; 4-methylphenol; (4-methylphenyl)oxonium; nickel IUPAC Name: [2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenyl]oxidanium; 4-methylphenol; (4-methylphenyl)oxidanium; nickel Traditional Name: [2-[(2-hydroxy-5-methyl-phenyl)thio]-4-methyl-phenyl]oxonium; nickel; p-cresol; p-tolyloxonium Formula: C28H32NiO4S+2 MolecularWeight: 523.30968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[OH2+].CC1=CC=C(C=C1)O.CC1=CC(=C(C=C1)[OH2+])SC2=C(C=CC(=C2)C)O.[Ni]

Isomeric SMILES

CC1=CC=C(C=C1)[OH2+].CC1=CC=C(C=C1)O.CC1=CC(=C(C=C1)[OH2+])SC2=C(C=CC(=C2)C)O.[Ni]

InChI

InChI=1S/C14H14O2S.2C7H8O.Ni/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16;2*1-6-2-4-7(8)5-3-6;/h3-8,15-16H,1-2H3;2*2-5,8H,1H3;/p+2