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

Systemtic Name: dibutoxy-bis(oxidanyl)phosphanium; nickel(3+); 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene Openeye Name: dinickelic; dibutoxy(dihydroxy)phosphonium; 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene CAS Name: dibutoxy(dihydroxy)phosphonium; nickel(3+); 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene IUPAC Name: dibutoxy(dihydroxy)phosphanium; nickel(3+); 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene Traditional Name: dinickelic; dibutoxy(dihydroxy)phosphonium; 2,2,4-trimethyl-1,5,9-triazacyclododec-4-ene Formula: C40H90N6Ni2O8P2+8 MolecularWeight: 962.512322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO[P+](O)(O)OCCCC.CCCCO[P+](O)(O)OCCCC.CC1=NCCCNCCCNC(C1)(C)C.CC1=NCCCNCCCNC(C1)(C)C.[Ni+3].[Ni+3]

Isomeric SMILES

CCCCO[P+](O)(O)OCCCC.CCCCO[P+](O)(O)OCCCC.CC1=NCCCNCCCNC(C1)(C)C.CC1=NCCCNCCCNC(C1)(C)C.[Ni+3].[Ni+3]

InChI

InChI=1S/2C12H25N3.2C8H20O4P.2Ni/c2*1-11-10-12(2,3)15-9-5-7-13-6-4-8-14-11;2*1-3-5-7-11-13(9,10)12-8-6-4-2;;/h2*13,15H,4-10H2,1-3H3;2*9-10H,3-8H2,1-2H3;;/q;;2*+1;2*+3