3H-Indolium, 2-[2-[2-chloro-3-[2-[1,3-dihydro-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt

CAS Registry Number®

162411-22-5
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CAS Name

3H-Indolium, 2-[2-[2-chloro-3-[2-[1,3-dihydro-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt

Molecular Formula

C40H51ClN2O8S2

Cite this Page

3H-Indolium, 2-[2-[2-chloro-3-[2-[1,3-dihydro-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=162411-22-5 (retrieved 2024-08-27) (CAS RN: 162411-22-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H51ClN2O8S2/c1-39(2)32-26-30(50-5)16-18-34(32)42(22-7-9-24-52(44,45)46)36(39)20-14-28-12-11-13-29(38(28)41)15-21-37-40(3,4)33-27-31(51-6)17-19-35(33)43(37)23-8-10-25-53(47,48)49/h14-21,26-27H,7-13,22-25H2,1-6H3,(H-,44,45,46,47,48,49)

InChIKey

InChIKey=MNVASHPKEQOKQS-UHFFFAOYSA-N

SMILES

C(CCCS(=O)(=O)O)N1C=2C(C(C)(C)C1=CC=C3C(Cl)=C(C=CC4=[N+](CCCCS(=O)(=O)[O-])C=5C(C4(C)C)=CC(OC)=CC5)CCC3)=CC(OC)=CC2

Canonical SMILES

O=S(=O)([O-])CCCC[N+]=1C=2C=CC(OC)=CC2C(C1C=CC3=C(Cl)C(=CC=C4N(C5=CC=C(OC)C=C5C4(C)C)CCCCS(=O)(=O)O)CCC3)(C)C

Other Names for this Substance

  • 3H-Indolium, 2-[2-[2-chloro-3-[2-[1,3-dihydro-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt
  • 3H-Indolium, 2-[2-[2-chloro-3-[[1,3-dihydro-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-1-cyclohexen-1-yl]ethenyl]-5-methoxy-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt

Deleted or Replaced CAS Registry Numbers

1504555-89-8, 1613614-12-2