sodium 2-(4-oxidanylidene-3-phenyl-chromen-7-yl)oxydecanoate

Systemtic Name: sodium 2-(4-oxidanylidene-3-phenyl-chromen-7-yl)oxydecanoate Openeye Name: sodium 2-(4-oxo-3-phenyl-chromen-7-yl)oxydecanoate CAS Name: sodium 2-[(4-oxo-3-phenyl-1-benzopyran-7-yl)oxy]decanoate IUPAC Name: sodium 2-(4-oxo-3-phenylchromen-7-yl)oxydecanoate Traditional Name: sodium 2-(4-keto-3-phenyl-chromen-7-yl)oxycaprate Formula: C25H27NaO5 MolecularWeight: 430.46865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)[O-])OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CCCCCCCCC(C(=O)[O-])OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C25H28O5.Na/c1-2-3-4-5-6-10-13-22(25(27)28)30-19-14-15-20-23(16-19)29-17-21(24(20)26)18-11-8-7-9-12-18;/h7-9,11-12,14-17,22H,2-6,10,13H2,1H3,(H,27,28);/q;+1/p-1