1-(7-Carboxyheptyl) 1,2-benzenedicarboxylate

CAS Registry Number®

856869-57-3
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CAS Name

1-(7-Carboxyheptyl) 1,2-benzenedicarboxylate

Molecular Formula

C16H20O6

Molecular Mass

308.33

Cite this Page

1-(7-Carboxyheptyl) 1,2-benzenedicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=856869-57-3 (retrieved 2024-08-15) (CAS RN: 856869-57-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20O6/c17-14(18)10-4-2-1-3-7-11-22-16(21)13-9-6-5-8-12(13)15(19)20/h5-6,8-9H,1-4,7,10-11H2,(H,17,18)(H,19,20)

InChIKey

InChIKey=MVSRWFURCUZTAM-UHFFFAOYSA-N

SMILES

C(OCCCCCCCC(O)=O)(=O)C1=C(C(O)=O)C=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=CC1C(=O)OCCCCCCCC(=O)O

Other Names for this Substance

  • 1,2-Benzenedicarboxylic acid, 1-(7-carboxyheptyl) ester
  • 1,2-Benzenedicarboxylic acid, mono(7-carboxyheptyl) ester
  • 1-(7-Carboxyheptyl) 1,2-benzenedicarboxylate
  • Mono(7-carboxyheptyl)phthalate
  • Mono(7-carboxy-n-heptyl)phthalate