2-adamantyl 4-butan-2-ylbenzenesulfonate

Systemtic Name: 2-adamantyl 4-butan-2-ylbenzenesulfonate Openeye Name: 2-adamantyl 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid 2-adamantyl ester Formula: C20H28O3S MolecularWeight: 348.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3S/c1-3-13(2)16-4-6-19(7-5-16)24(21,22)23-20-17-9-14-8-15(11-17)12-18(20)10-14/h4-7,13-15,17-18,20H,3,8-12H2,1-2H3