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sodium 4-methylpentyl (4-phenethylphenyl) phosphate

sodium 4-methylpentyl (4-phenethylphenyl) phosphate

Systemtic Name:sodium 4-methylpentyl (4-phenethylphenyl) phosphate
Openeye Name:sodium isohexyl (4-phenethylphenyl) phosphate
CAS Name:sodium 4-methylpentyl (4-phenethylphenyl) phosphate
IUPAC Name:sodium 4-methylpentyl (4-phenethylphenyl) phosphate
Traditional Name:sodium isohexyl (4-phenethylphenyl) phosphate
Formula: C20H26NaO4P
MolecularWeight: 384.381571
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOP(=O)([O-])OC1=CC=C(C=C1)CCC2=CC=CC=C2.[Na+]


Isomeric SMILES

CC(C)CCCOP(=O)([O-])OC1=CC=C(C=C1)CCC2=CC=CC=C2.[Na+]


InChI

InChI=1S/C20H27O4P.Na/c1-17(2)7-6-16-23-25(21,22)24-20-14-12-19(13-15-20)11-10-18-8-4-3-5-9-18;/h3-5,8-9,12-15,17H,6-7,10-11,16H2,1-2H3,(H,21,22);/q;+1/p-1


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