N2,N3-bis(2,6-diphenylphenyl)-1,4-dithiane-2,3-diimine; nickel; (Z)-4-oxidanylpent-3-en-2-one

Systemtic Name: N2,N3-bis(2,6-diphenylphenyl)-1,4-dithiane-2,3-diimine; nickel; (Z)-4-oxidanylpent-3-en-2-one Openeye Name: N2,N3-bis(2,6-diphenylphenyl)-1,4-dithiane-2,3-diimine; (Z)-4-hydroxypent-3-en-2-one; nickel CAS Name: N2,N3-bis(2,6-diphenylphenyl)-1,4-dithiane-2,3-diimine; (Z)-4-hydroxy-3-penten-2-one; nickel IUPAC Name: 2-N,3-N-bis(2,6-diphenylphenyl)-1,4-dithiane-2,3-diimine; (Z)-4-hydroxypent-3-en-2-one; nickel Traditional Name: (2,6-diphenylphenyl)-[3-(2,6-diphenylphenyl)imino-1,4-dithian-2-ylidene]amine; (Z)-4-hydroxypent-3-en-2-one; nickel Formula: C45H38N2NiO2S2 MolecularWeight: 761.61882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)O.C1CSC(=NC2=C(C=CC=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=NC5=C(C=CC=C5C6=CC=CC=C6)C7=CC=CC=C7)S1.[Ni]

Isomeric SMILES

C/C(=C/C(=O)C)/O.C1CSC(=NC2=C(C=CC=C2C3=CC=CC=C3)C4=CC=CC=C4)C(=NC5=C(C=CC=C5C6=CC=CC=C6)C7=CC=CC=C7)S1.[Ni]

InChI

InChI=1S/C40H30N2S2.C5H8O2.Ni/c1-5-15-29(16-6-1)33-23-13-24-34(30-17-7-2-8-18-30)37(33)41-39-40(44-28-27-43-39)42-38-35(31-19-9-3-10-20-31)25-14-26-36(38)32-21-11-4-12-22-32;1-4(6)3-5(2)7;/h1-26H,27-28H2;3,6H,1-2H3;/b;4-3-;