2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
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2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
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CAS No:
120724-84-7
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Formula:
C31H39N2O6S2.Na
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Chemical Name:
2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
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Synonyms:
3,3,3",3"-Tetramethyl-1,1"-bis(4-sulfobutyl)indocarbocyanine Sodium Salt;D4464;2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium Hydroxide Inner Salt Sodium Salt;3-[3,3-Dimethyl-1-(4-sulfonatobutyl)indolin-2-ylidene]-1-[3,3-dimethyl-1-(4-sulfonatobutyl)indolium-2-yl]-1
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CAS No:
2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt Basic Attributes
622.77
622.21500
Computed Properties
Molecular Weight:622.8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:622.21472360
Monoisotopic Mass:622.21472360
Topological Polar Surface Area:137
Heavy Atom Count:42
Complexity:1120
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-[3-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]propenyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt
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