2-adamantyl 4-methylbenzenesulfonate

Systemtic Name: 2-adamantyl 4-methylbenzenesulfonate Openeye Name: 2-adamantyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-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)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CC4CC(C3)CC2C4

InChI

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