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

Systemtic Name: 3,5-bis(2,2-dimethylpropoxycarbonyl)benzenesulfonic acid Openeye Name: 3,5-bis(2,2-dimethylpropoxycarbonyl)benzenesulfonic acid CAS Name: 3,5-bis[2,2-dimethylpropoxy(oxo)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(2,2-dimethylpropoxycarbonyl)benzenesulfonic acid Traditional Name: 3,5-bis(neopentyloxycarbonyl)besylic acid Formula: C18H26O7S MolecularWeight: 386.45984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)(C)C

Isomeric SMILES

CC(C)(C)COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OCC(C)(C)C

InChI

InChI=1S/C18H26O7S/c1-17(2,3)10-24-15(19)12-7-13(9-14(8-12)26(21,22)23)16(20)25-11-18(4,5)6/h7-9H,10-11H2,1-6H3,(H,21,22,23)