sodium 2-[(E)-2-(2-methylphenyl)ethenyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate

Systemtic Name: sodium 2-[(E)-2-(2-methylphenyl)ethenyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate Openeye Name: sodium 2-[(E)-2-(o-tolyl)vinyl]-4-oxo-3-propyl-chromene-6-carboxylate CAS Name: sodium 2-[(E)-2-(2-methylphenyl)ethenyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylate IUPAC Name: sodium 2-[(E)-2-(2-methylphenyl)ethenyl]-4-oxo-3-propylchromene-6-carboxylate Traditional Name: sodium 4-keto-2-[(E)-2-(o-tolyl)vinyl]-3-propyl-chromene-6-carboxylate Formula: C22H19NaO4 MolecularWeight: 370.37363

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)[O-])C=CC3=CC=CC=C3C.[Na+]

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)[O-])/C=C/C3=CC=CC=C3C.[Na+]

InChI

InChI=1S/C22H20O4.Na/c1-3-6-17-19(11-9-15-8-5-4-7-14(15)2)26-20-12-10-16(22(24)25)13-18(20)21(17)23;/h4-5,7-13H,3,6H2,1-2H3,(H,24,25);/q;+1/p-1/b11-9+;