2-azanyl-2-methyl-propane-1,3-diol; [5-methyl-4-[1-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-propan-2-yl-phenyl] dihydrogen phosphate

Systemtic Name: 2-azanyl-2-methyl-propane-1,3-diol; [5-methyl-4-[1-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-propan-2-yl-phenyl] dihydrogen phosphate Openeye Name: 2-amino-2-methyl-propane-1,3-diol; [4-[1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-oxo-isobenzofuran-1-yl]-2-isopropyl-5-methyl-phenyl] dihydrogen phosphate CAS Name: 2-amino-2-methylpropane-1,3-diol; [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-1-isobenzofuranyl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate IUPAC Name: 2-amino-2-methylpropane-1,3-diol; [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] dihydrogen phosphate Traditional Name: 2-amino-2-methyl-propane-1,3-diol; [4-[1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-keto-phthalan-1-yl]-2-isopropyl-5-methyl-phenyl] dihydrogen phosphate Formula: C36H53N2O11P MolecularWeight: 720.786581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)(O)O)C(C)C)C(C)C)O.CC(CO)(CO)N.CC(CO)(CO)N

Isomeric SMILES

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)(O)O)C(C)C)C(C)C)O.CC(CO)(CO)N.CC(CO)(CO)N

InChI

InChI=1S/C28H31O7P.2C4H11NO2/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;2*1-4(5,2-6)3-7/h7-16,29H,1-6H3,(H2,31,32,33);2*6-7H,2-3,5H2,1H3