sodium 6-azanylhexanoyl 3,4,5-trimethoxybenzoate

Systemtic Name: sodium 6-azanylhexanoyl 3,4,5-trimethoxybenzoate Openeye Name: sodium 6-aminohexanoyl 3,4,5-trimethoxybenzoate CAS Name: sodium 3,4,5-trimethoxybenzoic acid (6-amino-1-oxohexyl) ester IUPAC Name: sodium 6-aminohexanoyl 3,4,5-trimethoxybenzoate Traditional Name: sodium 3,4,5-trimethoxybenzoic acid 6-aminohexanoyl ester Formula: C16H23NNaO6+ MolecularWeight: 348.34669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC(=O)CCCCCN.[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC(=O)CCCCCN.[Na+]

InChI

InChI=1S/C16H23NO6.Na/c1-20-12-9-11(10-13(21-2)15(12)22-3)16(19)23-14(18)7-5-4-6-8-17;/h9-10H,4-8,17H2,1-3H3;/q;+1