[4-(bromomethyl)-2-adamantyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-(bromomethyl)-2-adamantyl] 4-nitrobenzenesulfonate Openeye Name: [4-(bromomethyl)-2-adamantyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(bromomethyl)-2-adamantyl] ester IUPAC Name: [4-(bromomethyl)-2-adamantyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-(bromomethyl)-2-adamantyl] ester Formula: C17H20BrNO5S MolecularWeight: 430.3134

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1C(C(C2)C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])CBr

Isomeric SMILES

C1C2CC3CC1C(C(C2)C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])CBr

InChI

InChI=1S/C17H20BrNO5S/c18-9-16-11-5-10-6-12(8-11)17(15(16)7-10)24-25(22,23)14-3-1-13(2-4-14)19(20)21/h1-4,10-12,15-17H,5-9H2