Xanthylium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, inner salt

CAS Registry Number®

178623-12-6

CAS Name

Xanthylium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, inner salt

Molecular Formula

C33H41N3O8S2

Cite this Page

Xanthylium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178623-12-6 (retrieved 2024-11-05) (CAS RN: 178623-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H41N3O8S2/c1-5-35(6-2)23-13-16-26-29(20-23)44-30-21-24(36(7-3)8-4)14-17-27(30)33(26)28-18-15-25(22-31(28)46(41,42)43)45(39,40)34-19-11-9-10-12-32(37)38/h13-18,20-22,34H,5-12,19H2,1-4H3,(H-,37,38,41,42,43)

InChIKey

InChIKey=XLXOKMFKGASILN-UHFFFAOYSA-N

SMILES

S(=O)(=O)([O-])C1=C(C=2C3=C([O+]=C4C2C=CC(N(CC)CC)=C4)C=C(N(CC)CC)C=C3)C=CC(S(NCCCCCC(O)=O)(=O)=O)=C1

Canonical SMILES

O=C(O)CCCCCNS(=O)(=O)C=1C=CC(C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)N(CC)CC)N(CC)CC)=C(C1)S(=O)(=O)[O-]

Other Names for this Substance

  • Xanthylium, 9-[4-[[(5-carboxypentyl)amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, inner salt
  • Rhodamine Red X

CAS INSIGHTSTM
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