1-adamantylmethyl 4-methylbenzenesulfonate

Systemtic Name: 1-adamantylmethyl 4-methylbenzenesulfonate Openeye Name: 1-adamantylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-adamantylmethyl ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H24O3S/c1-13-2-4-17(5-3-13)22(19,20)21-12-18-9-14-6-15(10-18)8-16(7-14)11-18/h2-5,14-16H,6-12H2,1H3