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5-[3-cyano-1-[di(propan-2-yl)amino]phosphanyloxy-propyl]benzene-1,3-dicarboxylic acid

5-[3-cyano-1-[di(propan-2-yl)amino]phosphanyloxy-propyl]benzene-1,3-dicarboxylic acid

Systemtic Name:5-[3-cyano-1-[di(propan-2-yl)amino]phosphanyloxy-propyl]benzene-1,3-dicarboxylic acid
Openeye Name:5-[3-cyano-1-(diisopropylamino)phosphanyloxy-propyl]benzene-1,3-dicarboxylic acid
CAS Name:5-[3-cyano-1-[di(propan-2-yl)amino]phosphinooxypropyl]benzene-1,3-dicarboxylic acid
IUPAC Name:5-[3-cyano-1-[di(propan-2-yl)amino]phosphanyloxypropyl]benzene-1,3-dicarboxylic acid
Traditional Name:5-[3-cyano-1-(diisopropylamino)phosphinooxy-propyl]isophthalic acid
Formula: C18H25N2O5P
MolecularWeight: 380.375261
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)POC(CCC#N)C1=CC(=CC(=C1)C(=O)O)C(=O)O


Isomeric SMILES

CC(C)N(C(C)C)POC(CCC#N)C1=CC(=CC(=C1)C(=O)O)C(=O)O


InChI

InChI=1S/C18H25N2O5P/c1-11(2)20(12(3)4)26-25-16(6-5-7-19)13-8-14(17(21)22)10-15(9-13)18(23)24/h8-12,16,26H,5-6H2,1-4H3,(H,21,22)(H,23,24)


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