(4-chloranyl-1-adamantyl) 4-methylbenzenesulfonate

Systemtic Name: (4-chloranyl-1-adamantyl) 4-methylbenzenesulfonate Openeye Name: (4-chloro-1-adamantyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-chloro-1-adamantyl) ester IUPAC Name: (4-chloro-1-adamantyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-chloro-1-adamantyl) ester Formula: C17H21ClO3S MolecularWeight: 340.86484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClO3S/c1-11-2-4-15(5-3-11)22(19,20)21-17-8-12-6-13(9-17)16(18)14(7-12)10-17/h2-5,12-14,16H,6-10H2,1H3