sodium 4-(3-methoxycarbonyl-5-propoxycarbonyl-phenyl)sulfonyloxybenzenesulfonate

Systemtic Name: sodium 4-(3-methoxycarbonyl-5-propoxycarbonyl-phenyl)sulfonyloxybenzenesulfonate Openeye Name: sodium 4-(3-methoxycarbonyl-5-propoxycarbonyl-phenyl)sulfonyloxybenzenesulfonate CAS Name: sodium 4-[3-methoxycarbonyl-5-[oxo(propoxy)methyl]phenyl]sulfonyloxybenzenesulfonate IUPAC Name: sodium 4-(3-methoxycarbonyl-5-propoxycarbonylphenyl)sulfonyloxybenzenesulfonate Traditional Name: sodium 4-(3-carbomethoxy-5-propoxycarbonyl-phenyl)sulfonyloxybesylate Formula: C18H17NaO10S2 MolecularWeight: 480.44135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O10S2.Na/c1-3-8-27-18(20)13-9-12(17(19)26-2)10-16(11-13)30(24,25)28-14-4-6-15(7-5-14)29(21,22)23;/h4-7,9-11H,3,8H2,1-2H3,(H,21,22,23);/q;+1/p-1