4-(1-adamantylmethoxycarbonyl)benzenesulfonate

Systemtic Name: 4-(1-adamantylmethoxycarbonyl)benzenesulfonate Openeye Name: 4-(1-adamantylmethoxycarbonyl)benzenesulfonate CAS Name: 4-[1-adamantylmethoxy(oxo)methyl]benzenesulfonate IUPAC Name: 4-(1-adamantylmethoxycarbonyl)benzenesulfonate Traditional Name: 4-(1-adamantylmethoxycarbonyl)besylate Formula: C18H21O5S- MolecularWeight: 349.42134

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)S(=O)(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C18H22O5S/c19-17(15-1-3-16(4-2-15)24(20,21)22)23-11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21,22)/p-1