calcium bis[9,10-bis(bromanyl)octadecyl] phosphate

Systemtic Name: calcium bis[9,10-bis(bromanyl)octadecyl] phosphate Openeye Name: calcium bis(9,10-dibromooctadecyl) phosphate CAS Name: calcium bis(9,10-dibromooctadecyl) phosphate IUPAC Name: calcium bis(9,10-dibromooctadecyl) phosphate Traditional Name: calcium bis(9,10-dibromooctadecyl) phosphate Formula: C72H140Br8CaO8P2 MolecularWeight: 1875.134722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C36H71Br4O4P.Ca/c2*1-3-5-7-9-15-21-27-33(37)35(39)29-23-17-11-13-19-25-31-43-45(41,42)44-32-26-20-14-12-18-24-30-36(40)34(38)28-22-16-10-8-6-4-2;/h2*33-36H,3-32H2,1-2H3,(H,41,42);/q;;+2/p-2