2-adamantyl 4-nitrobenzenesulfonate

Systemtic Name: 2-adamantyl 4-nitrobenzenesulfonate Openeye Name: 2-adamantyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 2-adamantyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO5S/c18-17(19)14-1-3-15(4-2-14)23(20,21)22-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16H,5-9H2