Rhodanile Blue

CAS Registry Number®

14969-56-3

CAS Name

Rhodanile Blue

Molecular Formula

C48H48N5O3.Cl

Cite this Page

Rhodanile Blue.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14969-56-3 (retrieved 2024-11-25) (CAS RN: 14969-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H48N5O3.ClH/c1-7-51(8-2)31-21-24-38-42(27-31)55-43-28-32(52(9-3)10-4)22-25-39(43)46(38)35-18-14-16-20-37(35)48(54)50-41-30-45-47(36-19-15-13-17-34(36)41)49-40-26-23-33(29-44(40)56-45)53(11-5)12-6;/h13-30H,7-12H2,1-6H3;1H/q+1;/p-1

InChIKey

InChIKey=UYQVPCFMVWEDCA-UHFFFAOYSA-M

SMILES

C(N=C1C=2C(C=3C(=C1)OC=4C(N3)=CC=C(N(CC)CC)C4)=CC=CC2)(=O)C5=C(C=6C7=C([O+]=C8C6C=CC(N(CC)CC)=C8)C=C(N(CC)CC)C=C7)C=CC=C5.[Cl-]

Canonical SMILES

[Cl-].O=C(N=C1C=C2OC3=CC(=CC=C3N=C2C=4C=CC=CC14)N(CC)CC)C=5C=CC=CC5C=6C=7C=CC(=CC7[O+]=C8C=C(C=CC86)N(CC)CC)N(CC)CC

Other Names for this Substance

  • Xanthylium, 3,6-bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-, chloride (1:1)
  • Ammonium, [6-(diethylamino)-9-[o-[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]carbamoyl]phenyl]-3H-xanthen-3-ylidene]diethyl-, chloride
  • Ethanaminium, N-[6-(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-3H-xanthen-3-ylidene]-N-ethyl-, chloride
  • Xanthylium, 3,6-bis(diethylamino)-9-[2-[[[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]amino]carbonyl]phenyl]-, chloride
  • 5H-Benzo[a]phenoxazine, xanthylium deriv.

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