sodium 4-[2,3-bis(chloranyl)-4-(2-methylidenepentanoyl)phenoxy]butanoate

Systemtic Name: sodium 4-[2,3-bis(chloranyl)-4-(2-methylidenepentanoyl)phenoxy]butanoate Openeye Name: sodium 4-[2,3-dichloro-4-(2-methylenepentanoyl)phenoxy]butanoate CAS Name: sodium 4-[2,3-dichloro-4-(2-methylene-1-oxopentyl)phenoxy]butanoate IUPAC Name: sodium 4-[2,3-dichloro-4-(2-methylidenepentanoyl)phenoxy]butanoate Traditional Name: sodium 4-[2,3-dichloro-4-(2-propylacryloyl)phenoxy]butyrate Formula: C16H17Cl2NaO4 MolecularWeight: 367.19955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C)C(=O)C1=C(C(=C(C=C1)OCCCC(=O)[O-])Cl)Cl.[Na+]

Isomeric SMILES

CCCC(=C)C(=O)C1=C(C(=C(C=C1)OCCCC(=O)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C16H18Cl2O4.Na/c1-3-5-10(2)16(21)11-7-8-12(15(18)14(11)17)22-9-4-6-13(19)20;/h7-8H,2-6,9H2,1H3,(H,19,20);/q;+1/p-1