sodium 3,4-di(pentanoyloxy)benzoate

Systemtic Name: sodium 3,4-di(pentanoyloxy)benzoate Openeye Name: sodium 3,4-di(pentanoyloxy)benzoate CAS Name: sodium 3,4-bis(1-oxopentoxy)benzoate IUPAC Name: sodium 3,4-di(pentanoyloxy)benzoate Traditional Name: sodium 3,4-divaleryloxybenzoate Formula: C17H21NaO6 MolecularWeight: 344.33481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C=C(C=C1)C(=O)[O-])OC(=O)CCCC.[Na+]

Isomeric SMILES

CCCCC(=O)OC1=C(C=C(C=C1)C(=O)[O-])OC(=O)CCCC.[Na+]

InChI

InChI=1S/C17H22O6.Na/c1-3-5-7-15(18)22-13-10-9-12(17(20)21)11-14(13)23-16(19)8-6-4-2;/h9-11H,3-8H2,1-2H3,(H,20,21);/q;+1/p-1