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1-adamantylphosphonic acid; 2-(3,4-dimethoxyphenyl)ethanamine

1-adamantylphosphonic acid; 2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name:1-adamantylphosphonic acid; 2-(3,4-dimethoxyphenyl)ethanamine
Openeye Name:1-adamantylphosphonic acid; 2-(3,4-dimethoxyphenyl)ethanamine
CAS Name:1-adamantylphosphonic acid; 2-(3,4-dimethoxyphenyl)ethanamine
IUPAC Name:1-adamantylphosphonic acid; 2-(3,4-dimethoxyphenyl)ethanamine
Traditional Name:1-adamantylphosphonic acid; homoveratrylamine
Formula: C20H32NO5P
MolecularWeight: 397.445541
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN)OC.C1C2CC3CC1CC(C2)(C3)P(=O)(O)O


Isomeric SMILES

COC1=C(C=C(C=C1)CCN)OC.C1C2CC3CC1CC(C2)(C3)P(=O)(O)O


InChI

InChI=1S/C10H15NO2.C10H17O3P/c1-12-9-4-3-8(5-6-11)7-10(9)13-2;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h3-4,7H,5-6,11H2,1-2H3;7-9H,1-6H2,(H2,11,12,13)


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