calcium 9,10-bis(bromanyl)octadecyl hydrogen phosphate

Systemtic Name: calcium 9,10-bis(bromanyl)octadecyl hydrogen phosphate Openeye Name: calcium 9,10-dibromooctadecyl hydrogen phosphate CAS Name: calcium 9,10-dibromooctadecyl hydrogen phosphate IUPAC Name: calcium 9,10-dibromooctadecyl hydrogen phosphate Traditional Name: calcium 9,10-dibromooctadecyl hydrogen phosphate Formula: C18H36Br2CaO4P+ MolecularWeight: 547.335801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCCOP(=O)(O)[O-])Br)Br.[Ca+2]

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCCOP(=O)(O)[O-])Br)Br.[Ca+2]

InChI

InChI=1S/C18H37Br2O4P.Ca/c1-2-3-4-5-8-11-14-17(19)18(20)15-12-9-6-7-10-13-16-24-25(21,22)23;/h17-18H,2-16H2,1H3,(H2,21,22,23);/q;+2/p-1