3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt (1:1)

CAS Registry Number®

120724-85-8

CAS Name

3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt (1:1)

Molecular Formula

C35H44N2O6S2.Na

Cite this Page

3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120724-85-8 (retrieved 2024-11-25) (CAS RN: 120724-85-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H44N2O6S2.Na/c1-34(2)28-18-10-12-20-30(28)36(24-14-16-26-44(38,39)40)32(34)22-8-6-5-7-9-23-33-35(3,4)29-19-11-13-21-31(29)37(33)25-15-17-27-45(41,42)43;/h5-13,18-23H,14-17,24-27H2,1-4H3,(H-,38,39,40,41,42,43);

InChIKey

InChIKey=PBVBOGFSFXOYLY-UHFFFAOYSA-N

SMILES

C(CCCS(=O)(=O)O)N1C=2C(C(C)(C)C1=CC=CC=CC=CC3=[N+](CCCCS(=O)(=O)[O-])C=4C(C3(C)C)=CC=CC4)=CC=CC2.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])CCCC[N+]=1C=2C=CC=CC2C(C1C=CC=CC=CC=C3N(C=4C=CC=CC4C3(C)C)CCCCS(=O)(=O)O)(C)C

Other Names for this Substance

  • 3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt (1:1)
  • 3H-Indolium, 2-[7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrienyl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt
  • IR 746
  • ADS 740WS

CAS INSIGHTSTM
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