[(1R,3S)-5-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,3S)-5-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate Openeye Name: [(1R,3S)-5-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,3S)-5-(4-nitrophenyl)-2-adamantyl] ester IUPAC Name: [(1R,3S)-5-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,3S)-5-(4-nitrophenyl)-2-adamantyl] ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC2CC(C4)(C3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2[C@@H]3CC4C[C@H]2CC(C3)(C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H25NO5S/c1-15-2-8-21(9-3-15)30(27,28)29-22-17-10-16-11-18(22)14-23(12-16,13-17)19-4-6-20(7-5-19)24(25)26/h2-9,16-18,22H,10-14H2,1H3/t16?,17-,18+,22?,23?