3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1,3,3-trimethyl-5-sulfo-, inner salt, ion(1-)
CAS Registry Number®
1617572-09-4
CAS Name
3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1,3,3-trimethyl-5-sulfo-, inner salt, ion(1-)Molecular Formula
C35H41N3O7S2Molecular Mass
679.85Cite this Page
3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1,3,3-trimethyl-5-sulfo-, inner salt, ion(1-). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1617572-09-4 (retrieved ) (CAS RN: 1617572-09-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C35H41N3O7S2/c1-7-21-36-33(39)16-12-9-13-22-38-30-20-18-26(47(43,44)45)24-28(30)35(4,5)32(38)15-11-8-10-14-31-34(2,3)27-23-25(46(40,41)42)17-19-29(27)37(31)6/h1,8,10-11,14-15,17-20,23-24H,9,12-13,16,21-22H2,2-6H3,(H2-,36,39,40,41,42,43,44,45)
InChIKey
InChIKey=OMSGSPNJNVQTSN-UHFFFAOYSA-N
SMILES
C(CCCCC(NCC#C)=O)N1C=2C(C(C)(C)C1=CC=CC=CC=3C(C)(C)C=4C([N+]3C)=CC=C(S(=O)(=O)[O-])C4)=CC(S(=O)(=O)O)=CC2
Canonical SMILES
O=C(NCC#C)CCCCCN1C2=CC=C(C=C2C(C1=CC=CC=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)[O-])C)(C)C)S(=O)(=O)O
Other Names for this Substance
- 3H-Indolium, 2-[5-[1,3-dihydro-3,3-dimethyl-1-[6-oxo-6-(2-propyn-1-ylamino)hexyl]-5-sulfo-2H-indol-2-ylidene]-1,3-pentadien-1-yl]-1,3,3-trimethyl-5-sulfo-, inner salt, ion(1-)
