[1-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate

Systemtic Name: [1-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate Openeye Name: [1-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(4-nitrophenyl)-2-adamantyl] ester IUPAC Name: [1-(4-nitrophenyl)-2-adamantyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(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)OC2C3CC4CC(C3)CC2(C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC(C3)CC2(C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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