2-(6-aminopurin-9-yl)ethoxymethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-[(9Z,12Z)-octadeca-9,12-dienoxy]phosphinic acid Formula: C26H44N5O4P MolecularWeight: 521.632421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C26H44N5O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-35-36(32,33)23-34-20-18-31-22-30-24-25(27)28-21-29-26(24)31/h6-7,9-10,21-22H,2-5,8,11-20,23H2,1H3,(H,32,33)(H2,27,28,29)/b7-6-,10-9-