sodium 3-[4-oxidanylidene-7-(phenylmethyl)-8-propyl-chromen-2-yl]propanoate

Systemtic Name: sodium 3-[4-oxidanylidene-7-(phenylmethyl)-8-propyl-chromen-2-yl]propanoate Openeye Name: sodium 3-(7-benzyl-4-oxo-8-propyl-chromen-2-yl)propanoate CAS Name: sodium 3-[4-oxo-7-(phenylmethyl)-8-propyl-1-benzopyran-2-yl]propanoate IUPAC Name: sodium 3-(7-benzyl-4-oxo-8-propylchromen-2-yl)propanoate Traditional Name: sodium 3-(7-benzyl-4-keto-8-propyl-chromen-2-yl)propionate Formula: C22H21NaO4 MolecularWeight: 372.38951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)[O-])CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)[O-])CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H22O4.Na/c1-2-6-18-16(13-15-7-4-3-5-8-15)9-11-19-20(23)14-17(26-22(18)19)10-12-21(24)25;/h3-5,7-9,11,14H,2,6,10,12-13H2,1H3,(H,24,25);/q;+1/p-1