sodium 1-ethenyl-4-pentyl-5-phenyl-pyrrole-2-carboxylate

Systemtic Name: sodium 1-ethenyl-4-pentyl-5-phenyl-pyrrole-2-carboxylate Openeye Name: sodium 4-pentyl-5-phenyl-1-vinyl-pyrrole-2-carboxylate CAS Name: sodium 1-ethenyl-4-pentyl-5-phenyl-2-pyrrolecarboxylate IUPAC Name: sodium 1-ethenyl-4-pentyl-5-phenylpyrrole-2-carboxylate Traditional Name: sodium 4-amyl-5-phenyl-1-vinyl-pyrrole-2-carboxylate Formula: C18H20NNaO2 MolecularWeight: 305.34667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=C1)C(=O)[O-])C=C)C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCCC1=C(N(C(=C1)C(=O)[O-])C=C)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C18H21NO2.Na/c1-3-5-7-12-15-13-16(18(20)21)19(4-2)17(15)14-10-8-6-9-11-14;/h4,6,8-11,13H,2-3,5,7,12H2,1H3,(H,20,21);/q;+1/p-1