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disodium [1-(octanoylamino)-2,3-dihydro-1H-inden-2-yl] phosphate

disodium [1-(octanoylamino)-2,3-dihydro-1H-inden-2-yl] phosphate

Systemtic Name:disodium [1-(octanoylamino)-2,3-dihydro-1H-inden-2-yl] phosphate
Openeye Name:disodium [1-(octanoylamino)indan-2-yl] phosphate
CAS Name:disodium [1-(1-oxooctylamino)-2,3-dihydro-1H-inden-2-yl] phosphate
IUPAC Name:disodium [1-(octanoylamino)-2,3-dihydro-1H-inden-2-yl] phosphate
Traditional Name:disodium [1-(caprylylamino)indan-2-yl] phosphate
Formula: C17H24NNa2O5P
MolecularWeight: 399.329461
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1C(CC2=CC=CC=C12)OP(=O)([O-])[O-].[Na+].[Na+]


Isomeric SMILES

CCCCCCCC(=O)NC1C(CC2=CC=CC=C12)OP(=O)([O-])[O-].[Na+].[Na+]


InChI

InChI=1S/C17H26NO5P.2Na/c1-2-3-4-5-6-11-16(19)18-17-14-10-8-7-9-13(14)12-15(17)23-24(20,21)22;;/h7-10,15,17H,2-6,11-12H2,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2


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