[(3-methyl-2-propan-2-yl-cyclohexyl)-phenyl-amino]phosphonic acid

Systemtic Name: [(3-methyl-2-propan-2-yl-cyclohexyl)-phenyl-amino]phosphonic acid Openeye Name: (N-(2-isopropyl-3-methyl-cyclohexyl)anilino)phosphonic acid CAS Name: (N-(3-methyl-2-propan-2-ylcyclohexyl)anilino)phosphonic acid IUPAC Name: (N-(3-methyl-2-propan-2-ylcyclohexyl)anilino)phosphonic acid Traditional Name: (N-(2-isopropyl-3-methyl-cyclohexyl)anilino)phosphonic acid Formula: C16H26NO3P MolecularWeight: 311.356301

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(C)C)N(C2=CC=CC=C2)P(=O)(O)O

Isomeric SMILES

CC1CCCC(C1C(C)C)N(C2=CC=CC=C2)P(=O)(O)O

InChI

InChI=1S/C16H26NO3P/c1-12(2)16-13(3)8-7-11-15(16)17(21(18,19)20)14-9-5-4-6-10-14/h4-6,9-10,12-13,15-16H,7-8,11H2,1-3H3,(H2,18,19,20)