disodium [2-(1,3-benzodioxol-4-yl)-2-(octanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-(1,3-benzodioxol-4-yl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(1,3-benzodioxol-4-yl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(1,3-benzodioxol-4-yl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(1,3-benzodioxol-4-yl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(1,3-benzodioxol-4-yl)-2-(caprylylamino)ethyl] phosphate Formula: C17H24NNa2O7P MolecularWeight: 431.328261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=C2C(=CC=C1)OCO2.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=C2C(=CC=C1)OCO2.[Na+].[Na+]

InChI

InChI=1S/C17H26NO7P.2Na/c1-2-3-4-5-6-10-16(19)18-14(11-25-26(20,21)22)13-8-7-9-15-17(13)24-12-23-15;;/h7-9,14H,2-6,10-12H2,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2