lissamine rhodamine

Properties Image MNX_ID MNXM106238 reference chebi:52101 formula C27H29N2NaO7S2 global charge 0 mol weight 580.66 InChIKey SXQCTESRRZBPHJ-UHFFFAOYSA-M InChI InChI=1S/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1 SMILES CCN(CC)C1=CC2=[O+]C3=C(C=CC(N(CC)CC)=C3)C(C3=C(S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C=C3)=C2C=C1.[Na+] MNX internals InChI (mnx) InChI=1/C27H30N2O7S2.Na/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35;/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1 SMILES (mnx) [CH3:1][CH2:5][N:28]([CH2:6][CH3:2])[C:18]1=[CH:15][C:24]2=[C:21]([CH:12]=[CH:9]1)[C:27]([C:23]1=[C:26]([S:38]([O-:33])(=[O:34])=[O:35])[CH:17]=[C:20]([S:37](=[O:30])([OH:31])=[O:32])[CH:11]=[CH:14]1)=[C:22]1[CH:13]=[CH:10][C:19]([N:29]([CH2:7][CH3:3])[CH2:8][CH3:4])=[CH:16][C:25]1=[O+:36]2.[Na+:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0