2-[4,5-Bis[[bis(2-pyridinylmethyl)amino]methyl]-2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzoic acid

CAS Registry Number®

914203-46-6

CAS Name

2-[4,5-Bis[[bis(2-pyridinylmethyl)amino]methyl]-2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzoic acid

Molecular Formula

C46H36Cl2N6O5

Molecular Mass

823.72

Cite this Page

2-[4,5-Bis[[bis(2-pyridinylmethyl)amino]methyl]-2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=914203-46-6 (retrieved 2024-11-28) (CAS RN: 914203-46-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H36Cl2N6O5/c47-39-21-35-41(33-15-1-2-16-34(33)46(57)58)36-22-40(48)43(56)38(28-54(25-31-13-5-9-19-51-31)26-32-14-6-10-20-52-32)45(36)59-44(35)37(42(39)55)27-53(23-29-11-3-7-17-49-29)24-30-12-4-8-18-50-30/h1-22,55H,23-28H2,(H,57,58)

InChIKey

InChIKey=NKEYRLVORYSIBB-UHFFFAOYSA-N

SMILES

C(O)(=O)C1=C(C=2C=3C(=C(CN(CC4=CC=CC=N4)CC5=CC=CC=N5)C(O)=C(Cl)C3)OC=6C2C=C(Cl)C(=O)C6CN(CC7=CC=CC=N7)CC8=CC=CC=N8)C=CC=C1

Canonical SMILES

O=C(O)C=1C=CC=CC1C2=C3C=C(Cl)C(=O)C(=C3OC4=C2C=C(Cl)C(O)=C4CN(CC5=NC=CC=C5)CC6=NC=CC=C6)CN(CC7=NC=CC=C7)CC8=NC=CC=C8

Other Names for this Substance

  • Benzoic acid, 2-[4,5-bis[[bis(2-pyridinylmethyl)amino]methyl]-2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl]-
  • 2-[4,5-Bis[[bis(2-pyridinylmethyl)amino]methyl]-2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl]benzoic acid

CAS INSIGHTSTM
Hourglass and a clock