5′′-(3′,5′-Dicarboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid

CAS Registry Number®

1126896-14-7

CAS Name

5′′-(3′,5′-Dicarboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid

Molecular Formula

C48H30O12

Molecular Mass

798.74

Cite this Page

5′′-(3′,5′-Dicarboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1126896-14-7 (retrieved 2024-11-27) (CAS RN: 1126896-14-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H30O12/c49-43(50)37-16-34(17-38(22-37)44(51)52)28-7-1-25(2-8-28)31-13-32(26-3-9-29(10-4-26)35-18-39(45(53)54)23-40(19-35)46(55)56)15-33(14-31)27-5-11-30(12-6-27)36-20-41(47(57)58)24-42(21-36)48(59)60/h1-24H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)

InChIKey

InChIKey=GRUCPCKDKJRCJX-UHFFFAOYSA-N

SMILES

C(O)(=O)C=1C=C(C2=CC=C(C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC(C(O)=O)=CC(C(O)=O)=C5)C6=CC=C(C=C6)C7=CC(C(O)=O)=CC(C(O)=O)=C7)C=C2)C=C(C(O)=O)C1

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)C=2C=CC(=CC2)C3=CC(=CC(=C3)C=4C=CC(=CC4)C=5C=C(C=C(C5)C(=O)O)C(=O)O)C=6C=CC(=CC6)C=7C=C(C=C(C7)C(=O)O)C(=O)O)C(=O)O

Other Names for this Substance

  • [1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-Quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid, 5′′-(3′,5′-dicarboxy[1,1′-biphenyl]-4-yl)-
  • 5′′-(3′,5′-Dicarboxy[1,1′-biphenyl]-4-yl)[1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquephenyl]-3,3′′′′,5,5′′′′-tetracarboxylic acid

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