sodium 4-heptoxycarbonyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)hexanoate

Systemtic Name: sodium 4-heptoxycarbonyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)hexanoate Openeye Name: sodium 2-(1-carboxypropyl)-4-heptoxycarbonyl-hexanoate CAS Name: sodium 4-[heptoxy(oxo)methyl]-2-(1-hydroxy-1-oxobutan-2-yl)hexanoate IUPAC Name: sodium 4-heptoxycarbonyl-2-(1-hydroxy-1-oxobutan-2-yl)hexanoate Traditional Name: sodium 2-(1-carboxypropyl)-4-heptoxycarbonyl-hexanoate Formula: C18H31NaO6 MolecularWeight: 366.42491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(CC)CC(C(CC)C(=O)O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCOC(=O)C(CC)CC(C(CC)C(=O)O)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H32O6.Na/c1-4-7-8-9-10-11-24-18(23)13(5-2)12-15(17(21)22)14(6-3)16(19)20;/h13-15H,4-12H2,1-3H3,(H,19,20)(H,21,22);/q;+1/p-1