1-adamantyl 4-methylbenzenesulfonate

Systemtic Name: 1-adamantyl 4-methylbenzenesulfonate Openeye Name: 1-adamantyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-adamantyl ester Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3S/c1-12-2-4-16(5-3-12)21(18,19)20-17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3