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(2-cyclohexylcyclohexyl) 3-nitrobenzenesulfonate

(2-cyclohexylcyclohexyl) 3-nitrobenzenesulfonate

Systemtic Name:(2-cyclohexylcyclohexyl) 3-nitrobenzenesulfonate
Openeye Name:(2-cyclohexylcyclohexyl) 3-nitrobenzenesulfonate
CAS Name:3-nitrobenzenesulfonic acid (2-cyclohexylcyclohexyl) ester
IUPAC Name:(2-cyclohexylcyclohexyl) 3-nitrobenzenesulfonate
Traditional Name:3-nitrobenzenesulfonic acid (2-cyclohexylcyclohexyl) ester
Formula: C18H25NO5S
MolecularWeight: 367.4598
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCCCC2OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]


Isomeric SMILES

C1CCC(CC1)C2CCCCC2OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]


InChI

InChI=1S/C18H25NO5S/c20-19(21)15-9-6-10-16(13-15)25(22,23)24-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h6,9-10,13-14,17-18H,1-5,7-8,11-12H2


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