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iodanylbenzene; (4-nitrophenyl) 2-dodecylbenzenesulfonate

iodanylbenzene; (4-nitrophenyl) 2-dodecylbenzenesulfonate

Systemtic Name:iodanylbenzene; (4-nitrophenyl) 2-dodecylbenzenesulfonate
Openeye Name:iodobenzene; (4-nitrophenyl) 2-dodecylbenzenesulfonate
CAS Name:2-dodecylbenzenesulfonic acid (4-nitrophenyl) ester; iodobenzene
IUPAC Name:iodobenzene; (4-nitrophenyl) 2-dodecylbenzenesulfonate
Traditional Name:iodobenzene; 2-laurylbenzenesulfonic acid (4-nitrophenyl) ester
Formula: C30H38INO5S
MolecularWeight: 651.59589
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)I


Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-].C1=CC=C(C=C1)I


InChI

InChI=1S/C24H33NO5S.C6H5I/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-13-16-24(21)31(28,29)30-23-19-17-22(18-20-23)25(26)27;7-6-4-2-1-3-5-6/h12-13,15-20H,2-11,14H2,1H3;1-5H


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