1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate

CAS Registry Number®

1332965-96-4

CAS Name

1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate

Molecular Formula

C17H20D4O4

Cite this Page

1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1332965-96-4 (retrieved 2024-12-21) (CAS RN: 1332965-96-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H24O4/c1-13(2)9-5-3-4-8-12-21-17(20)15-11-7-6-10-14(15)16(18)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,18,19)/i6D,7D,10D,11D

InChIKey

InChIKey=RNCMBSSLYOAVRT-NWUDIVGLSA-N

SMILES

C(OCCCCCCC(C)C)(=O)C1=C(C(O)=O)C(=C(C(=C1[2H])[2H])[2H])[2H]

Canonical SMILES

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

Other Names for this Substance

  • 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, 1-(7-methyloctyl) ester
  • 1-(7-Methyloctyl) hydrogen 1,2-benzene-3,4,5,6-d4-dicarboxylate

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