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

Systemtic Name: sodium 2-cyanoethyl [3-(1-methoxy-3-methyl-2-propan-2-yl-but-1-enyl)phenyl] phosphate Openeye Name: sodium 2-cyanoethyl [3-(2-isopropyl-1-methoxy-3-methyl-but-1-enyl)phenyl] phosphate CAS Name: sodium 2-cyanoethyl [3-(1-methoxy-3-methyl-2-propan-2-ylbut-1-enyl)phenyl] phosphate IUPAC Name: sodium 2-cyanoethyl [3-(1-methoxy-3-methyl-2-propan-2-ylbut-1-enyl)phenyl] phosphate Traditional Name: sodium 2-cyanoethyl [3-(2-isopropyl-1-methoxy-3-methyl-but-1-enyl)phenyl] phosphate Formula: C18H25NNaO5P MolecularWeight: 389.358331

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C18H26NO5P.Na/c1-13(2)17(14(3)4)18(22-5)15-8-6-9-16(12-15)24-25(20,21)23-11-7-10-19;/h6,8-9,12-14H,7,11H2,1-5H3,(H,20,21);/q;+1/p-1