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3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propyl methanesulfonate

3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propyl methanesulfonate

Systemtic Name:3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propyl methanesulfonate
Openeye Name:3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanyl-phenoxy]propyl methanesulfonate
CAS Name:methanesulfonic acid 3-[3-(dimethylaminomethyl)-4-[(2-nitrophenyl)thio]phenoxy]propyl ester
IUPAC Name:3-[3-(dimethylaminomethyl)-4-(2-nitrophenyl)sulfanylphenoxy]propyl methanesulfonate
Traditional Name:methanesulfonic acid 3-[3-(dimethylaminomethyl)-4-[(2-nitrophenyl)thio]phenoxy]propyl ester
Formula: C19H24N2O6S2
MolecularWeight: 440.53366
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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC(=C1)OCCCOS(=O)(=O)C)SC2=CC=CC=C2[N+](=O)[O-]


Isomeric SMILES

CN(C)CC1=C(C=CC(=C1)OCCCOS(=O)(=O)C)SC2=CC=CC=C2[N+](=O)[O-]


InChI

InChI=1S/C19H24N2O6S2/c1-20(2)14-15-13-16(26-11-6-12-27-29(3,24)25)9-10-18(15)28-19-8-5-4-7-17(19)21(22)23/h4-5,7-10,13H,6,11-12,14H2,1-3H3


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