sodium 4-[3-[(E)-2-(6-chloranylquinolin-2-yl)ethenyl]phenoxy]butanoate

Systemtic Name: sodium 4-[3-[(E)-2-(6-chloranylquinolin-2-yl)ethenyl]phenoxy]butanoate Openeye Name: sodium 4-[3-[(E)-2-(6-chloro-2-quinolyl)vinyl]phenoxy]butanoate CAS Name: sodium 4-[3-[(E)-2-(6-chloro-2-quinolinyl)ethenyl]phenoxy]butanoate IUPAC Name: sodium 4-[3-[(E)-2-(6-chloroquinolin-2-yl)ethenyl]phenoxy]butanoate Traditional Name: sodium 4-[3-[(E)-2-(6-chloro-2-quinolyl)vinyl]phenoxy]butyrate Formula: C21H17ClNNaO3 MolecularWeight: 389.80735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCCC(=O)[O-])C=CC2=NC3=C(C=C2)C=C(C=C3)Cl.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)OCCCC(=O)[O-])/C=C/C2=NC3=C(C=C2)C=C(C=C3)Cl.[Na+]

InChI

InChI=1S/C21H18ClNO3.Na/c22-17-8-11-20-16(14-17)7-10-18(23-20)9-6-15-3-1-4-19(13-15)26-12-2-5-21(24)25;/h1,3-4,6-11,13-14H,2,5,12H2,(H,24,25);/q;+1/p-1/b9-6+;