[4-[3,5-di(propan-2-yl)phenyl]-3-phenyl-butyl]-methyl-azanium; phosphonato phosphate

Systemtic Name: [4-[3,5-di(propan-2-yl)phenyl]-3-phenyl-butyl]-methyl-azanium; phosphonato phosphate Openeye Name: [4-(3,5-diisopropylphenyl)-3-phenyl-butyl]-methyl-ammonium; phosphonato phosphate CAS Name: [4-[3,5-di(propan-2-yl)phenyl]-3-phenylbutyl]-methylammonium; phosphonato phosphate IUPAC Name: [4-[3,5-di(propan-2-yl)phenyl]-3-phenylbutyl]-methylazanium; phosphonato phosphate Traditional Name: [4-(3,5-diisopropylphenyl)-3-phenyl-butyl]-methyl-ammonium; phosphonato phosphate Formula: C92H136N4O7P2 MolecularWeight: 1472.034362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.[O-]P(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.CC(C)C1=CC(=CC(=C1)CC(CC[NH2+]C)C2=CC=CC=C2)C(C)C.[O-]P(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/4C23H33N.H4O7P2/c4*1-17(2)22-14-19(15-23(16-22)18(3)4)13-21(11-12-24-5)20-9-7-6-8-10-20;1-8(2,3)7-9(4,5)6/h4*6-10,14-18,21,24H,11-13H2,1-5H3;(H2,1,2,3)(H2,4,5,6)