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DY-632(2-)

PropertiesImage
MNX_IDMNXM155617 Image of MNXM155617
referencechebi:63291
formulaC37H46N2O12S3
global charge-2
mol weight806.978
InChIKeyBFTAMZRKLIXDLY-UHFFFAOYSA-L
InChIInChI=1S/C37H48N2O12S3/c1-6-38(19-9-21-52(42,43)44)27-14-16-29-26(23-34(36(2,3)4)51-32(29)24-27)11-7-12-33-37(5,18-8-13-35(40)41)30-25-28(54(48,49)50)15-17-31(30)39(33)20-10-22-53(45,46)47/h7,11-12,14-17,23-25H,6,8-10,13,18-22H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49,50)/p-2
SMILESCCN(CCCS(=O)(=O)[O-])C1=CC=C2C(C=CC=C3N(CCCS(=O)(=O)[O-])C4=CC=C(S(=O)(=O)[O-])C=C4C3(C)CCCC(=O)O)=CC(C(C)(C)C)=[O+]C2=C1
MNX internals
InChI (mnx)InChI=1/C37H48N2O12S3/c1-6-38(19-9-21-52(42,43)44)27-14-16-29-26(23-34(36(2,3)4)51-32(29)24-27)11-7-12-33-37(5,18-8-13-35(40)41)30-25-28(54(48,49)50)15-17-31(30)39(33)20-10-22-53(45,46)47/h7,11-12,14-17,23-25H,6,8-10,13,18-22H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49,50)/b11-7?,33-12?/t37? Image of MNXM155617
SMILES (mnx)[CH3:1][CH2:6][N:38]([CH2:19][CH2:9][CH2:21][S:52](=[O:42])(=[O:43])[OH:44])[C:27]1=[CH:24][C:32]2=[O+:51][C:34]([C:36]([CH3:2])([CH3:3])[CH3:4])=[CH:23][C:26]([CH:11]=[CH:7][CH:12]=[C:33]3[C:37]([CH3:5])([CH2:18][CH2:8][CH2:13][C:35](=[O:40])[OH:41])[C:30]4=[C:31]([CH:17]=[CH:15][C:28]([S:54]([O-:48])(=[O:49])=[O:50])=[CH:25]4)[N:39]3[CH2:20][CH2:10][CH2:22][S:53](=[O:45])(=[O:46])[OH:47])=[C:29]2[CH:16]=[CH:14]1
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:63291
chebi:63291
BFTAMZRKLIXDLY-UHFFFAOYSA-L 		DY-632(2-)
2-(3-{2-tert-butyl-7-[ethyl(3-sulfonatopropyl)amino]chromenium-4-yl}prop-2-en-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
DY-632 dianion