sodium 4-(2-chloranylnonanoyl)benzoate

Systemtic Name: sodium 4-(2-chloranylnonanoyl)benzoate Openeye Name: sodium 4-(2-chlorononanoyl)benzoate CAS Name: sodium 4-(2-chloro-1-oxononyl)benzoate IUPAC Name: sodium 4-(2-chlorononanoyl)benzoate Traditional Name: sodium 4-(2-chlorononanoyl)benzoate Formula: C16H20ClNaO3 MolecularWeight: 318.77097

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCCCCCCC(C(=O)C1=CC=C(C=C1)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C16H21ClO3.Na/c1-2-3-4-5-6-7-14(17)15(18)12-8-10-13(11-9-12)16(19)20;/h8-11,14H,2-7H2,1H3,(H,19,20);/q;+1/p-1