4-[(1E)-2-[7-(Heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl]-1-propen-1-yl]benzoic acid

CAS Registry Number®

144092-31-9
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CAS Name

4-[(1E)-2-[7-(Heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl]-1-propen-1-yl]benzoic acid

Molecular Formula

C28H36O5S

Molecular Mass

484.65

Cite this Page

4-[(1E)-2-[7-(Heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl]-1-propen-1-yl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=144092-31-9 (retrieved 2024-09-06) (CAS RN: 144092-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H36O5S/c1-5-6-7-8-9-15-33-25-19-26-24(28(3,4)14-16-34(26,31)32)18-23(25)20(2)17-21-10-12-22(13-11-21)27(29)30/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,29,30)/b20-17+

InChIKey

InChIKey=JEIWQRITHXYGIF-LVZFUZTISA-N

SMILES

O=S1(=O)C=2C(=CC(\C(=C\C3=CC=C(C(O)=O)C=C3)\C)=C(OCCCCCCC)C2)C(C)(C)CC1

Canonical SMILES

O=C(O)C1=CC=C(C=C1)C=C(C=2C=C3C(=CC2OCCCCCCC)S(=O)(=O)CCC3(C)C)C

Other Names for this Substance

  • Benzoic acid, 4-[(1E)-2-[7-(heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl]-1-propen-1-yl]-
  • Benzoic acid, 4-[2-[7-(heptyloxy)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl]-1-propenyl]-, S,S-dioxide, (E)-
  • Benzoic acid, 4-[(1E)-2-[7-(heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl]-1-propenyl]-
  • 2H-1-Benzothiopyran, benzoic acid deriv.
  • 4-[(1E)-2-[7-(Heptyloxy)-3,4-dihydro-4,4-dimethyl-1,1-dioxido-2H-1-benzothiopyran-6-yl]-1-propen-1-yl]benzoic acid

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Deleted or Replaced CAS Registry Numbers

874634-08-9