CHEBI:63291 - DY-632(2−)

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ChEBI Name DY-632(2−)
ChEBI ID CHEBI:63291
ChEBI ASCII Name DY-632(2-)
Definition An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 2-tert-butyl-4-{-3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-7-[ethyl(3-sulfopropyl)amino]chromenium
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C37H46N2O12S3
Net Charge -2
Average Mass 806.96200
Monoisotopic Mass 806.22239
InChI InChI=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
InChIKey BFTAMZRKLIXDLY-UHFFFAOYSA-L
SMILES [H]C(=C([H])c1cc([o+]c2cc(ccc12)N(CC)CCCS([O-])(=O)=O)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing DY-632(2−) (CHEBI:63291) is a organosulfonate oxoanion (CHEBI:33554)
Incoming DY-632 (CHEBI:51947) has part DY-632(2−) (CHEBI:63291)
IUPAC Name
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
Synonym Source
DY-632 dianion ChEBI
Last Modified
28 November 2011