4,4′-[1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-6,2-benzofurandiyl)]bis[1,3-benzenedicarboxylic acid]

CAS Registry Number®

124549-08-2
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CAS Name

4,4′-[1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-6,2-benzofurandiyl)]bis[1,3-benzenedicarboxylic acid]

Molecular Formula

C44H42N2O15

Molecular Mass

838.81

Cite this Page

4,4′-[1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-6,2-benzofurandiyl)]bis[1,3-benzenedicarboxylic acid].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=124549-08-2 (retrieved 2024-04-28) (CAS RN: 124549-08-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H42N2O15/c1-55-39-21-27-19-37(29-5-3-25(41(47)48)17-31(29)43(51)52)60-35(27)23-33(39)45-7-11-57-12-8-46(10-14-59-16-15-58-13-9-45)34-24-36-28(22-40(34)56-2)20-38(61-36)30-6-4-26(42(49)50)18-32(30)44(53)54/h3-6,17-24H,7-16H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)

InChIKey

InChIKey=UGJCNRLBGKEGEH-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=2OC=3C(C2)=CC(OC)=C(C3)N4CCOCCN(CCOCCOCC4)C5=C(OC)C=C6C(=C5)OC(=C6)C7=C(C(O)=O)C=C(C(O)=O)C=C7)C=CC(C(O)=O)=C1

Canonical SMILES

O=C(O)C1=CC=C(C=2OC3=CC(=C(OC)C=C3C2)N4CCOCCOCCN(C=5C=C6OC(=CC6=CC5OC)C7=CC=C(C=C7C(=O)O)C(=O)O)CCOCC4)C(=C1)C(=O)O

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 4,4′-[1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-6,2-benzofurandiyl)]bis-
  • 1,4,10-Trioxa-7,13-diazacyclopentadecane, 1,3-benzenedicarboxylic acid deriv.
  • 4,4′-[1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diylbis(5-methoxy-6,2-benzofurandiyl)]bis[1,3-benzenedicarboxylic acid]
  • SBFI

Deleted or Replaced CAS Registry Numbers

124694-91-3

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