sodium 2-cyanoethyl [3-[(Z)-2-(2,2-dimethylpropoxymethyl)-3,3-dimethyl-1-propan-2-yloxy-but-1-enyl]phenyl] phosphate

Systemtic Name: sodium 2-cyanoethyl [3-[(Z)-2-(2,2-dimethylpropoxymethyl)-3,3-dimethyl-1-propan-2-yloxy-but-1-enyl]phenyl] phosphate Openeye Name: sodium 2-cyanoethyl [3-[(Z)-2-(2,2-dimethylpropoxymethyl)-1-isopropoxy-3,3-dimethyl-but-1-enyl]phenyl] phosphate CAS Name: sodium 2-cyanoethyl [3-[(Z)-2-(2,2-dimethylpropoxymethyl)-3,3-dimethyl-1-propan-2-yloxybut-1-enyl]phenyl] phosphate IUPAC Name: sodium 2-cyanoethyl [3-[(Z)-2-(2,2-dimethylpropoxymethyl)-3,3-dimethyl-1-propan-2-yloxybut-1-enyl]phenyl] phosphate Traditional Name: sodium 2-cyanoethyl [3-[(Z)-1-isopropoxy-3,3-dimethyl-2-(neopentyloxymethyl)but-1-enyl]phenyl] phosphate Formula: C24H37NNaO6P MolecularWeight: 489.517211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=C(COCC(C)(C)C)C(C)(C)C)C1=CC(=CC=C1)OP(=O)([O-])OCCC#N.[Na+]

Isomeric SMILES

CC(C)O/C(=C(\COCC(C)(C)C)/C(C)(C)C)/C1=CC(=CC=C1)OP(=O)([O-])OCCC#N.[Na+]

InChI

InChI=1S/C24H38NO6P.Na/c1-18(2)30-22(21(24(6,7)8)16-28-17-23(3,4)5)19-11-9-12-20(15-19)31-32(26,27)29-14-10-13-25;/h9,11-12,15,18H,10,14,16-17H2,1-8H3,(H,26,27);/q;+1/p-1/b22-21+;