bis(oxidanyl)-diphenoxy-phosphanium; nickel(3+); 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene

Systemtic Name: bis(oxidanyl)-diphenoxy-phosphanium; nickel(3+); 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene Openeye Name: dinickelic; dihydroxy(diphenoxy)phosphonium; 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene CAS Name: dihydroxy(diphenoxy)phosphonium; nickel(3+); 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene IUPAC Name: dihydroxy(diphenoxy)phosphanium; nickel(3+); 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene Traditional Name: dinickelic; dihydroxy(diphenoxy)phosphonium; 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene Formula: C48H74N6Ni2O8P2+8 MolecularWeight: 1042.470882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCCNCCCNC(C1)(C)C.CC1=NCCCNCCCNC(C1)(C)C.C1=CC=C(C=C1)O[P+](O)(O)OC2=CC=CC=C2.C1=CC=C(C=C1)O[P+](O)(O)OC2=CC=CC=C2.[Ni+3].[Ni+3]

Isomeric SMILES

CC1=NCCCNCCCNC(C1)(C)C.CC1=NCCCNCCCNC(C1)(C)C.C1=CC=C(C=C1)O[P+](O)(O)OC2=CC=CC=C2.C1=CC=C(C=C1)O[P+](O)(O)OC2=CC=CC=C2.[Ni+3].[Ni+3]

InChI

InChI=1S/2C12H25N3.2C12H12O4P.2Ni/c2*1-11-10-12(2,3)15-9-5-7-13-6-4-8-14-11;2*13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;;/h2*13,15H,4-10H2,1-3H3;2*1-10,13-14H;;/q;;2*+1;2*+3