2-adamantylmethyl 4-methylbenzenesulfonate

Systemtic Name: 2-adamantylmethyl 4-methylbenzenesulfonate Openeye Name: 2-adamantylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-adamantylmethyl ester IUPAC Name: 2-adamantylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-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)OCC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3CC4CC(C3)CC2C4

InChI

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