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sodium 3,5-bis(1-hydroxyethyloxycarbonyl)benzenesulfonic acid

sodium 3,5-bis(1-hydroxyethyloxycarbonyl)benzenesulfonic acid

Systemtic Name:sodium 3,5-bis(1-hydroxyethyloxycarbonyl)benzenesulfonic acid
Openeye Name:sodium 3,5-bis(1-hydroxyethoxycarbonyl)benzenesulfonic acid
CAS Name:sodium 3,5-bis[1-hydroxyethoxy(oxo)methyl]benzenesulfonic acid
IUPAC Name:sodium 3,5-bis(1-hydroxyethoxycarbonyl)benzenesulfonic acid
Traditional Name:sodium 3,5-bis(1-hydroxyethoxycarbonyl)besylic acid
Formula: C12H14NaO9S+
MolecularWeight: 357.28893
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H14O9S.Na/c1-6(13)20-11(15)8-3-9(12(16)21-7(2)14)5-10(4-8)22(17,18)19;/h3-7,13-14H,1-2H3,(H,17,18,19);/q;+1


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