[2-azanyl-4-[4-(5-hexanoylthiophen-3-yl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[4-(5-hexanoylthiophen-3-yl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[4-(5-hexanoyl-3-thienyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate CAS Name: [2-amino-2-(hydroxymethyl)-4-[4-[5-(1-oxohexyl)-3-thiophenyl]phenyl]butyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[4-(5-hexanoylthiophen-3-yl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate Traditional Name: [2-amino-4-[4-(5-caproyl-3-thienyl)phenyl]-2-methylol-butyl] dihydrogen phosphate Formula: C21H30NO6PS MolecularWeight: 455.504761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=CS1)C2=CC=C(C=C2)CCC(CO)(COP(=O)(O)O)N

Isomeric SMILES

CCCCCC(=O)C1=CC(=CS1)C2=CC=C(C=C2)CCC(CO)(COP(=O)(O)O)N

InChI

InChI=1S/C21H30NO6PS/c1-2-3-4-5-19(24)20-12-18(13-30-20)17-8-6-16(7-9-17)10-11-21(22,14-23)15-28-29(25,26)27/h6-9,12-13,23H,2-5,10-11,14-15,22H2,1H3,(H2,25,26,27)