Search MNXref
 Feedback

ATTO 520-2

PropertiesImage
MNX_IDMNXM42985 Image of MNXM42985
referencechebi:51812
formulaC22H27ClN2O7
global charge0
mol weight466.918
InChIKeyDCVVFDILOVSZSR-BMGIYVBOSA-O
InChIInChI=1S/C22H26N2O3.ClO4/c1-5-23-18-11-20-16(9-13(18)3)15(7-8-22(25)26)17-10-14(4)19(24-6-2)12-21(17)27-20;2-1(3,4)5/h9-12,23H,5-8H2,1-4H3,(H,25,26);/q;-1/p+1/b24-19-;
SMILESCCNC1=C(C)C=C2C(=C1)OC1=C/C(=[NH+]/CC)C(C)=CC1=C2CCC(=O)O.[O-][Cl+3]([O-])([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C22H26N2O3.ClO4/c1-5-23-18-11-20-16(9-13(18)3)15(7-8-22(25)26)17-10-14(4)19(24-6-2)12-21(17)27-20;2-1(3,4)5/h9-12,23H,5-8H2,1-4H3,(H,25,26);/q;-1/p+1/b24-19-; Image of MNXM42985
SMILES (mnx)[CH3:1][CH2:5][NH2+:23][C:18]1=[CH:11][C:20]2=[C:16]([CH:9]=[C:13]1[CH3:3])[C:15]([CH2:7][CH2:8][C:22](=[O:25])[OH:26])=[C:17]1[CH:10]=[C:14]([CH3:4])/[C:19](=[N:24]\[CH2:6][CH3:2])[CH:12]=[C:21]1[O:27]2.[Cl+3:28]([O-:29])([O-:30])([O-:31])[O-:32]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:51812
chebi:51812
DCVVFDILOVSZSR-BMGIYVBOSA-O 		ATTO 520-2
ATTO 520 free acid
N-[9-(2-carboxyethyl)-6-(ethylamino)-2,7-dimethyl-3H-xanthen-3-ylidene]ethanaminium perchlorate