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sodium 4-[2,5-bis(methoxycarbonyl)phenoxy]benzenesulfonate

sodium 4-[2,5-bis(methoxycarbonyl)phenoxy]benzenesulfonate

Systemtic Name:sodium 4-[2,5-bis(methoxycarbonyl)phenoxy]benzenesulfonate
Openeye Name:sodium 4-[2,5-bis(methoxycarbonyl)phenoxy]benzenesulfonate
CAS Name:sodium 4-[2,5-bis(methoxycarbonyl)phenoxy]benzenesulfonate
IUPAC Name:sodium 4-[2,5-bis(methoxycarbonyl)phenoxy]benzenesulfonate
Traditional Name:sodium 4-(2,5-dicarbomethoxyphenoxy)besylate
Formula: C16H13NaO8S
MolecularWeight: 388.32439
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)OC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]


Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)OC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]


InChI

InChI=1S/C16H14O8S.Na/c1-22-15(17)10-3-8-13(16(18)23-2)14(9-10)24-11-4-6-12(7-5-11)25(19,20)21;/h3-9H,1-2H3,(H,19,20,21);/q;+1/p-1


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