sodium 2-cyanoethyl [3-(3-methyl-2-propan-2-yl-1-propan-2-yloxy-but-1-enyl)phenyl] phosphate

Systemtic Name: sodium 2-cyanoethyl [3-(3-methyl-2-propan-2-yl-1-propan-2-yloxy-but-1-enyl)phenyl] phosphate Openeye Name: sodium 2-cyanoethyl [3-(1-isopropoxy-2-isopropyl-3-methyl-but-1-enyl)phenyl] phosphate CAS Name: sodium 2-cyanoethyl [3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenyl] phosphate IUPAC Name: sodium 2-cyanoethyl [3-(3-methyl-2-propan-2-yl-1-propan-2-yloxybut-1-enyl)phenyl] phosphate Traditional Name: sodium 2-cyanoethyl [3-(1-isopropoxy-2-isopropyl-3-methyl-but-1-enyl)phenyl] phosphate Formula: C20H29NNaO5P MolecularWeight: 417.411491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO5P.Na/c1-14(2)19(15(3)4)20(25-16(5)6)17-9-7-10-18(13-17)26-27(22,23)24-12-8-11-21;/h7,9-10,13-16H,8,12H2,1-6H3,(H,22,23);/q;+1/p-1