sodium 2-(4-butoxycarbonylphenyl)carbonyloxybenzenesulfonate

Systemtic Name: sodium 2-(4-butoxycarbonylphenyl)carbonyloxybenzenesulfonate Openeye Name: sodium 2-(4-butoxycarbonylbenzoyl)oxybenzenesulfonate CAS Name: sodium 2-[[4-[butoxy(oxo)methyl]phenyl]-oxomethoxy]benzenesulfonate IUPAC Name: sodium 2-(4-butoxycarbonylbenzoyl)oxybenzenesulfonate Traditional Name: sodium 2-(4-butoxycarbonylbenzoyl)oxybesylate Formula: C18H17NaO7S MolecularWeight: 400.37815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H18O7S.Na/c1-2-3-12-24-17(19)13-8-10-14(11-9-13)18(20)25-15-6-4-5-7-16(15)26(21,22)23;/h4-11H,2-3,12H2,1H3,(H,21,22,23);/q;+1/p-1