sodium 4-(hydroxymethyl)-3-undecoxy-benzoate

Systemtic Name: sodium 4-(hydroxymethyl)-3-undecoxy-benzoate Openeye Name: sodium 4-(hydroxymethyl)-3-undecoxy-benzoate CAS Name: sodium 4-(hydroxymethyl)-3-undecoxybenzoate IUPAC Name: sodium 4-(hydroxymethyl)-3-undecoxybenzoate Traditional Name: sodium 4-methylol-3-undecoxy-benzoate Formula: C19H29NaO4 MolecularWeight: 344.42093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])CO.[Na+]

Isomeric SMILES

CCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)[O-])CO.[Na+]

InChI

InChI=1S/C19H30O4.Na/c1-2-3-4-5-6-7-8-9-10-13-23-18-14-16(19(21)22)11-12-17(18)15-20;/h11-12,14,20H,2-10,13,15H2,1H3,(H,21,22);/q;+1/p-1