[2-azanyl-4-[4-(5-hexylthiophen-2-yl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[4-(5-hexylthiophen-2-yl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[4-(5-hexyl-2-thienyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate CAS Name: [2-amino-4-[4-(5-hexyl-2-thiophenyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[4-(5-hexylthiophen-2-yl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate Traditional Name: [2-amino-4-[4-(5-hexyl-2-thienyl)phenyl]-2-methylol-butyl] dihydrogen phosphate Formula: C21H32NO5PS MolecularWeight: 441.521241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(S1)C2=CC=C(C=C2)CCC(CO)(COP(=O)(O)O)N

Isomeric SMILES

CCCCCCC1=CC=C(S1)C2=CC=C(C=C2)CCC(CO)(COP(=O)(O)O)N

InChI

InChI=1S/C21H32NO5PS/c1-2-3-4-5-6-19-11-12-20(29-19)18-9-7-17(8-10-18)13-14-21(22,15-23)16-27-28(24,25)26/h7-12,23H,2-6,13-16,22H2,1H3,(H2,24,25,26)