1-Methyl 2-(2-phenylethyl)-6-(phosphonooxy)benzoate

CAS Registry Number®

1171921-37-1
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CAS Name

1-Methyl 2-(2-phenylethyl)-6-(phosphonooxy)benzoate

Molecular Formula

C16H17O6P

Molecular Mass

336.28

Cite this Page

1-Methyl 2-(2-phenylethyl)-6-(phosphonooxy)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1171921-37-1 (retrieved 2024-08-20) (CAS RN: 1171921-37-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H17O6P/c1-21-16(17)15-13(11-10-12-6-3-2-4-7-12)8-5-9-14(15)22-23(18,19)20/h2-9H,10-11H2,1H3,(H2,18,19,20)

InChIKey

InChIKey=NENFLOJIKJGGLN-UHFFFAOYSA-N

SMILES

O(P(=O)(O)O)C1=C(C(OC)=O)C(CCC2=CC=CC=C2)=CC=C1

Canonical SMILES

O=C(OC)C=1C(OP(=O)(O)O)=CC=CC1CCC=2C=CC=CC2

Other Names for this Substance

  • Benzoic acid, 2-(2-phenylethyl)-6-(phosphonooxy)-, 1-methyl ester
  • 1-Methyl 2-(2-phenylethyl)-6-(phosphonooxy)benzoate