sodium 4-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenolate

Systemtic Name: sodium 4-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenolate Openeye Name: sodium 4-[3-(3,4,5-trimethoxyphenyl)isothiazol-4-yl]phenolate CAS Name: sodium 4-[3-(3,4,5-trimethoxyphenyl)-4-isothiazolyl]phenolate IUPAC Name: sodium 4-[3-(3,4,5-trimethoxyphenyl)-1,2-thiazol-4-yl]phenolate Traditional Name: sodium 4-[3-(3,4,5-trimethoxyphenyl)isothiazol-4-yl]phenolate Formula: C18H16NNaO4S MolecularWeight: 365.37871

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NSC=C2C3=CC=C(C=C3)[O-].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NSC=C2C3=CC=C(C=C3)[O-].[Na+]

InChI

InChI=1S/C18H17NO4S.Na/c1-21-15-8-12(9-16(22-2)18(15)23-3)17-14(10-24-19-17)11-4-6-13(20)7-5-11;/h4-10,20H,1-3H3;/q;+1/p-1