rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid

CAS Registry Number®

596-56-5

CAS Name

rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid

Molecular Formula

C18H16O4

Molecular Mass

296.32

Cite this Page

rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=596-56-5 (retrieved 2024-11-22) (CAS RN: 596-56-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C18H16O4/c19-16(20)14-10-11-18(17(21)22,12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h1-9,14H,10-11H2,(H,19,20)(H,21,22)/t14-,18-/s2

InChIKey

InChIKey=LRUSLZFPYBAMCI-SHTGXJIWNA-N

SMILES

C(O)(=O)[C@]1(C=2C([C@@H](C(O)=O)CC1)=CC=CC2)C3=CC=CC=C3

Canonical SMILES

O=C(O)C1C=2C=CC=CC2C(C(=O)O)(C=3C=CC=CC3)CC1

Other Names for this Substance

  • 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, (1R,4R)-rel-
  • 1,4-Naphthalenedicarboxylic acid, 1,2,3,4-tetrahydro-1-phenyl-, cis-
  • rel-(1R,4R)-1,2,3,4-Tetrahydro-1-phenyl-1,4-naphthalenedicarboxylic acid
  • β-Isatropic acid
  • Isatropic acid

Deleted or Replaced CAS Registry Numbers

116724-30-2

CAS INSIGHTSTM
Hourglass and a clock