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sodium (2,6-dimethylphenyl) [4-(phenylcarbonyl)cyclohexyl] phosphate

sodium (2,6-dimethylphenyl) [4-(phenylcarbonyl)cyclohexyl] phosphate

Systemtic Name:sodium (2,6-dimethylphenyl) [4-(phenylcarbonyl)cyclohexyl] phosphate
Openeye Name:sodium (4-benzoylcyclohexyl) (2,6-dimethylphenyl) phosphate
CAS Name:sodium (4-benzoylcyclohexyl) (2,6-dimethylphenyl) phosphate
IUPAC Name:sodium (4-benzoylcyclohexyl) (2,6-dimethylphenyl) phosphate
Traditional Name:sodium (4-benzoylcyclohexyl) (2,6-dimethylphenyl) phosphate
Formula: C21H24NaO5P
MolecularWeight: 410.375791
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2CCC(CC2)C(=O)C3=CC=CC=C3.[Na+]


Isomeric SMILES

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2CCC(CC2)C(=O)C3=CC=CC=C3.[Na+]


InChI

InChI=1S/C21H25O5P.Na/c1-15-7-6-8-16(2)21(15)26-27(23,24)25-19-13-11-18(12-14-19)20(22)17-9-4-3-5-10-17;/h3-10,18-19H,11-14H2,1-2H3,(H,23,24);/q;+1/p-1


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