sodium 3-(4-oxidanylidene-7-phenylmethoxy-8-propyl-chromen-2-yl)propanoate

Systemtic Name: sodium 3-(4-oxidanylidene-7-phenylmethoxy-8-propyl-chromen-2-yl)propanoate Openeye Name: sodium 3-(7-benzyloxy-4-oxo-8-propyl-chromen-2-yl)propanoate CAS Name: sodium 3-(4-oxo-7-phenylmethoxy-8-propyl-1-benzopyran-2-yl)propanoate IUPAC Name: sodium 3-(4-oxo-7-phenylmethoxy-8-propylchromen-2-yl)propanoate Traditional Name: sodium 3-(7-benzoxy-4-keto-8-propyl-chromen-2-yl)propionate Formula: C22H21NaO5 MolecularWeight: 388.38891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)[O-])OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)CCC(=O)[O-])OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C22H22O5.Na/c1-2-6-18-20(26-14-15-7-4-3-5-8-15)11-10-17-19(23)13-16(27-22(17)18)9-12-21(24)25;/h3-5,7-8,10-11,13H,2,6,9,12,14H2,1H3,(H,24,25);/q;+1/p-1