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[4-[(4-phenylazanylphenyl)amino]phenyl] octane-1-sulfonate

[4-[(4-phenylazanylphenyl)amino]phenyl] octane-1-sulfonate

Systemtic Name:[4-[(4-phenylazanylphenyl)amino]phenyl] octane-1-sulfonate
Openeye Name:[4-(4-anilinoanilino)phenyl] octane-1-sulfonate
CAS Name:1-octanesulfonic acid
IUPAC Name:[4-(4-anilinoanilino)phenyl] octane-1-sulfonate
Traditional Name:octane-1-sulfonic acid [4-(4-anilinoanilino)phenyl] ester
Formula: C26H32N2O3S
MolecularWeight: 452.60888
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3


Isomeric SMILES

CCCCCCCCS(=O)(=O)OC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=CC=C3


InChI

InChI=1S/C26H32N2O3S/c1-2-3-4-5-6-10-21-32(29,30)31-26-19-17-25(18-20-26)28-24-15-13-23(14-16-24)27-22-11-8-7-9-12-22/h7-9,11-20,27-28H,2-6,10,21H2,1H3


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