sodium 3-[3-[3-[3-(2-acetyloxyphenyl)carbonyloxybutanoyloxy]butanoyloxy]butanoyloxy]butanoate

Systemtic Name: sodium 3-[3-[3-[3-(2-acetyloxyphenyl)carbonyloxybutanoyloxy]butanoyloxy]butanoyloxy]butanoate Openeye Name: sodium 3-[3-[3-[3-(2-acetoxybenzoyl)oxybutanoyloxy]butanoyloxy]butanoyloxy]butanoate CAS Name: sodium 3-[3-[3-[3-[(2-acetyloxyphenyl)-oxomethoxy]-1-oxobutoxy]-1-oxobutoxy]-1-oxobutoxy]butanoate IUPAC Name: sodium 3-[3-[3-[3-(2-acetyloxybenzoyl)oxybutanoyloxy]butanoyloxy]butanoyloxy]butanoate Traditional Name: sodium 3-[3-[3-[3-(2-acetoxybenzoyl)oxybutanoyloxy]butanoyloxy]butanoyloxy]butyrate Formula: C25H31NaO12 MolecularWeight: 546.49621

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])OC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)OC(=O)C1=CC=CC=C1OC(=O)C.[Na+]

Isomeric SMILES

CC(CC(=O)[O-])OC(=O)CC(C)OC(=O)CC(C)OC(=O)CC(C)OC(=O)C1=CC=CC=C1OC(=O)C.[Na+]

InChI

InChI=1S/C25H32O12.Na/c1-14(10-21(27)28)33-22(29)11-15(2)34-23(30)12-16(3)35-24(31)13-17(4)36-25(32)19-8-6-7-9-20(19)37-18(5)26;/h6-9,14-17H,10-13H2,1-5H3,(H,27,28);/q;+1/p-1