3,5-bis(1-adamantylmethoxycarbonyl)benzenesulfonate

Systemtic Name: 3,5-bis(1-adamantylmethoxycarbonyl)benzenesulfonate Openeye Name: 3,5-bis(1-adamantylmethoxycarbonyl)benzenesulfonate CAS Name: 3,5-bis[1-adamantylmethoxy(oxo)methyl]benzenesulfonate IUPAC Name: 3,5-bis(1-adamantylmethoxycarbonyl)benzenesulfonate Traditional Name: 3,5-bis(1-adamantylmethoxycarbonyl)besylate Formula: C30H37O7S- MolecularWeight: 541.67558

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=CC(=C4)S(=O)(=O)[O-])C(=O)OCC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC(=CC(=C4)S(=O)(=O)[O-])C(=O)OCC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H38O7S/c31-27(36-16-29-10-18-1-19(11-29)3-20(2-18)12-29)24-7-25(9-26(8-24)38(33,34)35)28(32)37-17-30-13-21-4-22(14-30)6-23(5-21)15-30/h7-9,18-23H,1-6,10-17H2,(H,33,34,35)/p-1