[(2S)-4-oxidanylidene-2-adamantyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(2S)-4-oxidanylidene-2-adamantyl]methyl 4-methylbenzenesulfonate Openeye Name: [(2S)-4-oxo-2-adamantyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-4-oxo-2-adamantyl]methyl ester IUPAC Name: [(2S)-4-oxo-2-adamantyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-4-keto-2-adamantyl]methyl ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CC4CC(C3)C(=O)C2C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2C3CC4CC(C3)C(=O)C2C4

InChI

InChI=1S/C18H22O4S/c1-11-2-4-15(5-3-11)23(20,21)22-10-17-13-6-12-7-14(9-13)18(19)16(17)8-12/h2-5,12-14,16-17H,6-10H2,1H3/t12?,13?,14?,16?,17-/m0/s1