C23H26N3.1/2C10H6O6S2 structure

C23H26N3.1/2C10H6O6S2

bis(3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile);naphthalene-1,5-disulfonate

Also Known As: C23H26N3.1/2C10H6O6S2|C23-H26-N3.1/2C10-H6-O6-S2|3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)|3H-Indolium, 2-(2-(4-((2-cyanoethyl)methylamino)phenyl)ethenyl)-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, 1,5-naphthalenedisulfonate (2:1)|3H-Indolium, 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, salt with 1,5-naphthalenedisulfonic acid (2:1)

CAS: 68957-48-2
Molecular Formula C56H58N6O6S2
Molecular Weight 974.3859 g/mol
LogP 10.16
Topological Polar Surface Area 174.48 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 10
Rotatable Bonds 12
Exact Mass 974.3859
Heavy Atoms 70
Complexity 3119.3

Chemical Identifiers

CAS Number 68957-48-2
SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCC#N)C)C.C1=CC2=C(C=CC=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]

Product Overview

C23H26N3.1/2C10H6O6S2 (CAS 68957-48-2), with molecular formula C56H58N6O6S2 and molecular weight 974.3859 g/mol. IUPAC: bis(3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile);naphthalene-1,5-disulfonate.

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