3,5-bis(2-adamantylmethoxycarbonyl)benzenesulfonic acid

Systemtic Name: 3,5-bis(2-adamantylmethoxycarbonyl)benzenesulfonic acid Openeye Name: 3,5-bis(2-adamantylmethoxycarbonyl)benzenesulfonic acid CAS Name: 3,5-bis[2-adamantylmethoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(2-adamantylmethoxycarbonyl)benzenesulfonic acid Traditional Name: 3,5-bis(2-adamantylmethoxycarbonyl)besylic acid Formula: C30H38O7S MolecularWeight: 542.68352

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3COC(=O)C4=CC(=CC(=C4)S(=O)(=O)O)C(=O)OCC5C6CC7CC(C6)CC5C7

Isomeric SMILES

C1C2CC3CC1CC(C2)C3COC(=O)C4=CC(=CC(=C4)S(=O)(=O)O)C(=O)OCC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C30H38O7S/c31-29(36-14-27-20-3-16-1-17(5-20)6-21(27)4-16)24-11-25(13-26(12-24)38(33,34)35)30(32)37-15-28-22-7-18-2-19(9-22)10-23(28)8-18/h11-13,16-23,27-28H,1-10,14-15H2,(H,33,34,35)