[3-methyl-1-[[4-methyl-2,6-di(propan-2-yl)phenyl]-propan-2-yl-amino]-1-oxidanylidene-2-phosphono-butan-2-yl]phosphonic acid

Systemtic Name: [3-methyl-1-[[4-methyl-2,6-di(propan-2-yl)phenyl]-propan-2-yl-amino]-1-oxidanylidene-2-phosphono-butan-2-yl]phosphonic acid Openeye Name: [1-[(2,6-diisopropyl-4-methyl-phenyl)-isopropyl-carbamoyl]-2-methyl-1-phosphono-propyl]phosphonic acid CAS Name: [3-methyl-1-[4-methyl-N,2,6-tri(propan-2-yl)anilino]-1-oxo-2-phosphonobutan-2-yl]phosphonic acid IUPAC Name: [3-methyl-1-[4-methyl-N,2,6-tri(propan-2-yl)anilino]-1-oxo-2-phosphonobutan-2-yl]phosphonic acid Traditional Name: [1-[(2,6-diisopropyl-4-methyl-phenyl)-isopropyl-carbamoyl]-2-methyl-1-phosphono-propyl]phosphonic acid Formula: C21H37NO7P2 MolecularWeight: 477.468502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)C)N(C(C)C)C(=O)C(C(C)C)(P(=O)(O)O)P(=O)(O)O)C(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)C)N(C(C)C)C(=O)C(C(C)C)(P(=O)(O)O)P(=O)(O)O)C(C)C

InChI

InChI=1S/C21H37NO7P2/c1-12(2)17-10-16(9)11-18(13(3)4)19(17)22(15(7)8)20(23)21(14(5)6,30(24,25)26)31(27,28)29/h10-15H,1-9H3,(H2,24,25,26)(H2,27,28,29)