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(phenylmethyl) 2-(phenylmethyl)butanoate phosphate

(phenylmethyl) 2-(phenylmethyl)butanoate phosphate

Systemtic Name:(phenylmethyl) 2-(phenylmethyl)butanoate phosphate
Openeye Name:benzyl 2-benzylbutanoate phosphate
CAS Name:2-(phenylmethyl)butanoic acid (phenylmethyl) ester phosphate
IUPAC Name:benzyl 2-benzylbutanoate phosphate
Traditional Name:2-benzylbutyric acid benzyl ester phosphate
Formula: C18H20O6P-3
MolecularWeight: 363.321561
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2.[O-]P(=O)([O-])[O-]


Isomeric SMILES

CCC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2.[O-]P(=O)([O-])[O-]


InChI

InChI=1S/C18H20O2.H3O4P/c1-2-17(13-15-9-5-3-6-10-15)18(19)20-14-16-11-7-4-8-12-16;1-5(2,3)4/h3-12,17H,2,13-14H2,1H3;(H3,1,2,3,4)/p-3


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