4-[2,5-bis(2,2-dimethylpropyl)phenoxy]butan-1-amine; (4-methylphenyl)phosphonic acid

Systemtic Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]butan-1-amine; (4-methylphenyl)phosphonic acid Openeye Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]butan-1-amine; p-tolylphosphonic acid CAS Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]-1-butanamine; (4-methylphenyl)phosphonic acid IUPAC Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]butan-1-amine; (4-methylphenyl)phosphonic acid Traditional Name: 4-(2,5-dineopentylphenoxy)butylamine; p-tolylphosphonic acid Formula: C27H44NO4P MolecularWeight: 477.616321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)P(=O)(O)O.CC(C)(C)CC1=CC(=C(C=C1)CC(C)(C)C)OCCCCN

Isomeric SMILES

CC1=CC=C(C=C1)P(=O)(O)O.CC(C)(C)CC1=CC(=C(C=C1)CC(C)(C)C)OCCCCN

InChI

InChI=1S/C20H35NO.C7H9O3P/c1-19(2,3)14-16-9-10-17(15-20(4,5)6)18(13-16)22-12-8-7-11-21;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,13H,7-8,11-12,14-15,21H2,1-6H3;2-5H,1H3,(H2,8,9,10)