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4-(2-adamantylmethoxycarbonyl)benzenesulfonate

4-(2-adamantylmethoxycarbonyl)benzenesulfonate

Systemtic Name:4-(2-adamantylmethoxycarbonyl)benzenesulfonate
Openeye Name:4-(2-adamantylmethoxycarbonyl)benzenesulfonate
CAS Name:4-[2-adamantylmethoxy(oxo)methyl]benzenesulfonate
IUPAC Name:4-(2-adamantylmethoxycarbonyl)benzenesulfonate
Traditional Name:4-(2-adamantylmethoxycarbonyl)besylate
Formula: C18H21O5S-
MolecularWeight: 349.42134
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3COC(=O)C4=CC=C(C=C4)S(=O)(=O)[O-]


Isomeric SMILES

C1C2CC3CC1CC(C2)C3COC(=O)C4=CC=C(C=C4)S(=O)(=O)[O-]


InChI

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


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