3,5-bis[(2-ethyl-2-adamantyl)oxycarbonyl]benzenesulfonic acid

Systemtic Name: 3,5-bis[(2-ethyl-2-adamantyl)oxycarbonyl]benzenesulfonic acid Openeye Name: 3,5-bis[(2-ethyl-2-adamantyl)oxycarbonyl]benzenesulfonic acid CAS Name: 3,5-bis[(2-ethyl-2-adamantyl)oxy-oxomethyl]benzenesulfonic acid IUPAC Name: 3,5-bis[(2-ethyl-2-adamantyl)oxycarbonyl]benzenesulfonic acid Traditional Name: 3,5-bis[(2-ethyl-2-adamantyl)oxycarbonyl]besylic acid Formula: C32H42O7S MolecularWeight: 570.73668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC(=CC(=C4)S(=O)(=O)O)C(=O)OC5(C6CC7CC(C6)CC5C7)CC

Isomeric SMILES

CCC1(C2CC3CC(C2)CC1C3)OC(=O)C4=CC(=CC(=C4)S(=O)(=O)O)C(=O)OC5(C6CC7CC(C6)CC5C7)CC

InChI

InChI=1S/C32H42O7S/c1-3-31(24-7-18-5-19(9-24)10-25(31)8-18)38-29(33)22-15-23(17-28(16-22)40(35,36)37)30(34)39-32(4-2)26-11-20-6-21(13-26)14-27(32)12-20/h15-21,24-27H,3-14H2,1-2H3,(H,35,36,37)