calcium 3,5-bis(propan-2-yloxycarbonyl)benzenesulfonic acid

Systemtic Name: calcium 3,5-bis(propan-2-yloxycarbonyl)benzenesulfonic acid Openeye Name: calcium 3,5-bis(isopropoxycarbonyl)benzenesulfonic acid CAS Name: calcium 3,5-bis[oxo(propan-2-yloxy)methyl]benzenesulfonic acid IUPAC Name: calcium 3,5-bis(propan-2-yloxycarbonyl)benzenesulfonic acid Traditional Name: calcium 3,5-bis(isopropoxycarbonyl)besylic acid Formula: C14H18CaO7S+2 MolecularWeight: 370.43152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC(C)C.[Ca+2]

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC(C)C.[Ca+2]

InChI

InChI=1S/C14H18O7S.Ca/c1-8(2)20-13(15)10-5-11(14(16)21-9(3)4)7-12(6-10)22(17,18)19;/h5-9H,1-4H3,(H,17,18,19);/q;+2