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

Systemtic Name: sodium 2-[2-(2-methylphenyl)cyclopropyl]-4-oxidanylidene-3-propyl-chromene-6-carboxylate Openeye Name: sodium 2-[2-(o-tolyl)cyclopropyl]-4-oxo-3-propyl-chromene-6-carboxylate CAS Name: sodium 2-[2-(2-methylphenyl)cyclopropyl]-4-oxo-3-propyl-1-benzopyran-6-carboxylate IUPAC Name: sodium 2-[2-(2-methylphenyl)cyclopropyl]-4-oxo-3-propylchromene-6-carboxylate Traditional Name: sodium 4-keto-2-[2-(o-tolyl)cyclopropyl]-3-propyl-chromene-6-carboxylate Formula: C23H21NaO4 MolecularWeight: 384.40021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)[O-])C3CC3C4=CC=CC=C4C.[Na+]

Isomeric SMILES

CCCC1=C(OC2=C(C1=O)C=C(C=C2)C(=O)[O-])C3CC3C4=CC=CC=C4C.[Na+]

InChI

InChI=1S/C23H22O4.Na/c1-3-6-16-21(24)19-11-14(23(25)26)9-10-20(19)27-22(16)18-12-17(18)15-8-5-4-7-13(15)2;/h4-5,7-11,17-18H,3,6,12H2,1-2H3,(H,25,26);/q;+1/p-1