sodium 3-[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]propanoate

Systemtic Name: sodium 3-[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]propanoate Openeye Name: sodium 3-[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]propanoate CAS Name: sodium 3-[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]propanoate IUPAC Name: sodium 3-[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]propanoate Traditional Name: sodium 3-[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]propionate Formula: C20H19NaO6S MolecularWeight: 410.41603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CCC(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C20H20O6S.Na/c1-23-12-4-6-13(7-5-12)26-20-14-10-15(24-2)16(25-3)11-18(14)27-17(20)8-9-19(21)22;/h4-7,10-11H,8-9H2,1-3H3,(H,21,22);/q;+1/p-1