3,5-bis(pentan-3-yloxycarbonyl)benzenesulfonic acid

Systemtic Name: 3,5-bis(pentan-3-yloxycarbonyl)benzenesulfonic acid Openeye Name: 3,5-bis(1-ethylpropoxycarbonyl)benzenesulfonic acid CAS Name: 3,5-bis[oxo(pentan-3-yloxy)methyl]benzenesulfonic acid IUPAC Name: 3,5-bis(pentan-3-yloxycarbonyl)benzenesulfonic acid Traditional Name: 3,5-bis(1-ethylpropoxycarbonyl)besylic acid Formula: C18H26O7S MolecularWeight: 386.45984

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC(CC)CC

Isomeric SMILES

CCC(CC)OC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC(CC)CC

InChI

InChI=1S/C18H26O7S/c1-5-14(6-2)24-17(19)12-9-13(11-16(10-12)26(21,22)23)18(20)25-15(7-3)8-4/h9-11,14-15H,5-8H2,1-4H3,(H,21,22,23)