sodium 3-hexoxy-4-(hexoxymethyl)benzoate

Systemtic Name: sodium 3-hexoxy-4-(hexoxymethyl)benzoate Openeye Name: sodium 3-hexoxy-4-(hexoxymethyl)benzoate CAS Name: sodium 3-hexoxy-4-(hexoxymethyl)benzoate IUPAC Name: sodium 3-hexoxy-4-(hexoxymethyl)benzoate Traditional Name: sodium 3-hexoxy-4-(hexoxymethyl)benzoate Formula: C20H31NaO4 MolecularWeight: 358.44751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C=C(C=C1)C(=O)[O-])OCCCCCC.[Na+]

Isomeric SMILES

CCCCCCOCC1=C(C=C(C=C1)C(=O)[O-])OCCCCCC.[Na+]

InChI

InChI=1S/C20H32O4.Na/c1-3-5-7-9-13-23-16-18-12-11-17(20(21)22)15-19(18)24-14-10-8-6-4-2;/h11-12,15H,3-10,13-14,16H2,1-2H3,(H,21,22);/q;+1/p-1