2-[5-[3-(5-Carboxypentyl)-1,3-dihydro-1,1-dimethyl-6,8-disulfo-2H-benz[e]indo...
C41H44N2O14S4
210892-23-2 Copyright (C) 2025 ACS
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M  CHG  2  31  -1  50   1
M  END
> <cas.rn>
210892-23-2

> <ca.index.name>
1H-Benz[e]indolium, 2-[5-[3-(5-carboxypentyl)-1,3-dihydro-1,1-dimethyl-6,8-disulfo-2H-benz[e]indol-2-ylidene]-1,3-pentadien-1-yl]-3-ethyl-1,1-dimethyl-6,8-disulfo-, inner salt

> <molecular.formula>
C41H44N2O14S4

> <smiles.canonical>
O=C(O)CCCCCN1C2=CC=C3C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)=C2C(C1=CC=CC=CC4=[N+](C=5C=CC6=C(C=C(C=C6S(=O)(=O)[O-])S(=O)(=O)O)C5C4(C)C)CC)(C)C

> <molecular.weight>
917.06

> <pka.predicted>
-0.276±0.40    Most Acidic Temp: 25 °C

$$$$
