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calcium 3,5-bis(propoxycarbonyl)benzenesulfonic acid

calcium 3,5-bis(propoxycarbonyl)benzenesulfonic acid

Systemtic Name:calcium 3,5-bis(propoxycarbonyl)benzenesulfonic acid
Openeye Name:calcium 3,5-bis(propoxycarbonyl)benzenesulfonic acid
CAS Name:calcium 3,5-bis[oxo(propoxy)methyl]benzenesulfonic acid
IUPAC Name:calcium 3,5-bis(propoxycarbonyl)benzenesulfonic acid
Traditional Name:calcium 3,5-bis(propoxycarbonyl)besylic acid
Formula: C14H18CaO7S+2
MolecularWeight: 370.43152
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C14H18O7S.Ca/c1-3-5-20-13(15)10-7-11(14(16)21-6-4-2)9-12(8-10)22(17,18)19;/h7-9H,3-6H2,1-2H3,(H,17,18,19);/q;+2


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