[bis(bromanyl)-phosphonato-methyl]-oxidanyl-phosphinate; dicyclohexylazanium

Systemtic Name: [bis(bromanyl)-phosphonato-methyl]-oxidanyl-phosphinate; dicyclohexylazanium Openeye Name: [dibromo(phosphonato)methyl]-hydroxy-phosphinate; dicyclohexylammonium CAS Name: [dibromo(phosphonato)methyl]-hydroxyphosphinate; dicyclohexylammonium IUPAC Name: [dibromo(phosphonato)methyl]-hydroxyphosphinate; dicyclohexylazanium Traditional Name: [dibromo(phosphonato)methyl]-hydroxy-phosphinate; dicyclohexylammonium Formula: C37H73Br2N3O6P2 MolecularWeight: 877.747542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C(P(=O)(O)[O-])(P(=O)([O-])[O-])(Br)Br

Isomeric SMILES

C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C1CCC(CC1)[NH2+]C2CCCCC2.C(P(=O)(O)[O-])(P(=O)([O-])[O-])(Br)Br

InChI

InChI=1S/3C12H23N.CH4Br2O6P2/c3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,10(4,5)6)11(7,8)9/h3*11-13H,1-10H2;(H2,4,5,6)(H2,7,8,9)