Search MNXref
 Feedback

DY-750

PropertiesImage
MNX_IDMNXM51725 Image of MNXM51725
referencechebi:51983
formulaC42H52N2O6S
global charge0
mol weight712.953
InChIKeyGSUNDTMFNNPYFK-UHFFFAOYSA-N
InChIInChI=1S/C42H52N2O6S/c1-10-44-35-26-36-32(25-31(35)28(2)27-41(44,6)7)29(23-38(50-36)40(3,4)5)17-13-11-14-18-37-42(8,9)33-24-30(51(47,48)49)20-21-34(33)43(37)22-16-12-15-19-39(45)46/h11,13-14,17-18,20-21,23-27H,10,12,15-16,19,22H2,1-9H3,(H-,45,46,47,48,49)
SMILESCCN1C2=C(C=C3C(C=CC=CC=C4N(CCCCCC(=O)O)C5=CC=C(S(=O)(=O)[O-])C=C5C4(C)C)=CC(C(C)(C)C)=[O+]C3=C2)C(C)=CC1(C)C
MNX internals
InChI (mnx)InChI=1/C42H52N2O6S/c1-10-44-35-26-36-32(25-31(35)28(2)27-41(44,6)7)29(23-38(50-36)40(3,4)5)17-13-11-14-18-37-42(8,9)33-24-30(51(47,48)49)20-21-34(33)43(37)22-16-12-15-19-39(45)46/h11,13-14,17-18,20-21,23-27H,10,12,15-16,19,22H2,1-9H3,(H-,45,46,47,48,49) Image of MNXM51725
SMILES (mnx)[CH3:1][CH2:10][N:44]1[C:35]2=[C:31]([CH:25]=[C:32]3[C:29](=[CH:17][CH:13]=[CH:11][CH:14]=[CH:18][C:37]4=[N+:43]([CH2:22][CH2:16][CH2:12][CH2:15][CH2:19][C:39](=[O:45])[OH:46])[C:34]5=[C:33]([CH:24]=[C:30]([S:51]([O-:47])(=[O:48])=[O:49])[CH:20]=[CH:21]5)[C:42]4([CH3:8])[CH3:9])[CH:23]=[C:38]([C:40]([CH3:3])([CH3:4])[CH3:5])[O:50][C:36]3=[CH:26]2)[C:28]([CH3:2])=[CH:27][C:41]1([CH3:6])[CH3:7]
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:51983
chebi:51983
GSUNDTMFNNPYFK-UHFFFAOYSA-N 		DY-750
2-[5-(2-tert-butyl-9-ethyl-6,8,8-trimethyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)penta-2,4-dien-1-ylidene]-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate