sodium 2-(4-hexoxycarbonylphenyl)carbonyloxybenzenesulfonate

Systemtic Name: sodium 2-(4-hexoxycarbonylphenyl)carbonyloxybenzenesulfonate Openeye Name: sodium 2-(4-hexoxycarbonylbenzoyl)oxybenzenesulfonate CAS Name: sodium 2-[[4-[hexoxy(oxo)methyl]phenyl]-oxomethoxy]benzenesulfonate IUPAC Name: sodium 2-(4-hexoxycarbonylbenzoyl)oxybenzenesulfonate Traditional Name: sodium 2-(4-hexoxycarbonylbenzoyl)oxybesylate Formula: C20H21NaO7S MolecularWeight: 428.43131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O7S.Na/c1-2-3-4-7-14-26-19(21)15-10-12-16(13-11-15)20(22)27-17-8-5-6-9-18(17)28(23,24)25;/h5-6,8-13H,2-4,7,14H2,1H3,(H,23,24,25);/q;+1/p-1