sodium 5-[3-(3-methylphenyl)peroxy-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: sodium 5-[3-(3-methylphenyl)peroxy-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[2-hydroxy-3-(m-tolylperoxy)propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[2-hydroxy-3-(3-methylphenyl)dioxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[2-hydroxy-3-(3-methylphenyl)peroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[2-hydroxy-3-(m-tolylperoxy)propoxy]-4-keto-chromene-2-carboxylate Formula: C20H17NaO8 MolecularWeight: 408.33395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OOCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)OOCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C20H18O8.Na/c1-12-4-2-5-14(8-12)28-26-11-13(21)10-25-16-6-3-7-17-19(16)15(22)9-18(27-17)20(23)24;/h2-9,13,21H,10-11H2,1H3,(H,23,24);/q;+1/p-1