sodium 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-8-propyl-naphthalene-2-carboxylate

Systemtic Name: sodium 7-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-8-propyl-naphthalene-2-carboxylate Openeye Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-8-propyl-naphthalene-2-carboxylate CAS Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-8-propyl-2-naphthalenecarboxylate IUPAC Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-8-propylnaphthalene-2-carboxylate Traditional Name: sodium 7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propoxy]-8-propyl-2-naphthoate Formula: C28H31NaO7 MolecularWeight: 502.53131

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C=C(C=C2)C(=O)[O-])OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O.[Na+]

Isomeric SMILES

CCCC1=C(C=CC2=C1C=C(C=C2)C(=O)[O-])OCC(COC3=C(C(=C(C=C3)C(=O)C)O)CCC)O.[Na+]

InChI

InChI=1S/C28H32O7.Na/c1-4-6-22-24-14-19(28(32)33)9-8-18(24)10-12-25(22)34-15-20(30)16-35-26-13-11-21(17(3)29)27(31)23(26)7-5-2;/h8-14,20,30-31H,4-7,15-16H2,1-3H3,(H,32,33);/q;+1/p-1