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

Systemtic Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]butan-1-amine; (4-methoxyphenyl)phosphonic acid Openeye Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]butan-1-amine; (4-methoxyphenyl)phosphonic acid CAS Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]-1-butanamine; (4-methoxyphenyl)phosphonic acid IUPAC Name: 4-[2,5-bis(2,2-dimethylpropyl)phenoxy]butan-1-amine; (4-methoxyphenyl)phosphonic acid Traditional Name: 4-(2,5-dineopentylphenoxy)butylamine; (4-methoxyphenyl)phosphonic acid Formula: C27H44NO5P MolecularWeight: 493.615721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC(=C(C=C1)CC(C)(C)C)OCCCCN.COC1=CC=C(C=C1)P(=O)(O)O

Isomeric SMILES

CC(C)(C)CC1=CC(=C(C=C1)CC(C)(C)C)OCCCCN.COC1=CC=C(C=C1)P(=O)(O)O

InChI

InChI=1S/C20H35NO.C7H9O4P/c1-19(2,3)14-16-9-10-17(15-20(4,5)6)18(13-16)22-12-8-7-11-21;1-11-6-2-4-7(5-3-6)12(8,9)10/h9-10,13H,7-8,11-12,14-15,21H2,1-6H3;2-5H,1H3,(H2,8,9,10)