1-(1-adamantyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-(1-adamantyl)ethyl 4-methylbenzenesulfonate Openeye Name: 1-(1-adamantyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(1-adamantyl)ethyl ester IUPAC Name: 1-(1-adamantyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(1-adamantyl)ethyl ester Formula: C19H26O3S MolecularWeight: 334.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H26O3S/c1-13-3-5-18(6-4-13)23(20,21)22-14(2)19-10-15-7-16(11-19)9-17(8-15)12-19/h3-6,14-17H,7-12H2,1-2H3