(4-cyano-1-adamantyl) 4-methylbenzenesulfonate

Systemtic Name: (4-cyano-1-adamantyl) 4-methylbenzenesulfonate Openeye Name: (4-cyano-1-adamantyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-cyano-1-adamantyl) ester IUPAC Name: (4-cyano-1-adamantyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-cyano-1-adamantyl) ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC23CC4CC(C2)C(C(C4)C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC23CC4CC(C2)C(C(C4)C3)C#N

InChI

InChI=1S/C18H21NO3S/c1-12-2-4-16(5-3-12)23(20,21)22-18-8-13-6-14(9-18)17(11-19)15(7-13)10-18/h2-5,13-15,17H,6-10H2,1H3