sodium 2-ethoxy-3-[2-(phenylmethyl)-2H-chromen-6-yl]propanoate

Systemtic Name: sodium 2-ethoxy-3-[2-(phenylmethyl)-2H-chromen-6-yl]propanoate Openeye Name: sodium 3-(2-benzyl-2H-chromen-6-yl)-2-ethoxy-propanoate CAS Name: sodium 2-ethoxy-3-[2-(phenylmethyl)-2H-1-benzopyran-6-yl]propanoate IUPAC Name: sodium 3-(2-benzyl-2H-chromen-6-yl)-2-ethoxypropanoate Traditional Name: sodium 3-(2-benzyl-2H-chromen-6-yl)-2-ethoxy-propionate Formula: C21H21NaO4 MolecularWeight: 360.37881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC2=C(C=C1)OC(C=C2)CC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCOC(CC1=CC2=C(C=C1)OC(C=C2)CC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H22O4.Na/c1-2-24-20(21(22)23)14-16-8-11-19-17(12-16)9-10-18(25-19)13-15-6-4-3-5-7-15;/h3-12,18,20H,2,13-14H2,1H3,(H,22,23);/q;+1/p-1