sodium 6-acetyloxy-3,4-dicarboxy-2-[4-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]-5-phenylmethoxycarbonyl-octanoate

Systemtic Name: sodium 6-acetyloxy-3,4-dicarboxy-2-[4-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]-5-phenylmethoxycarbonyl-octanoate Openeye Name: sodium 6-acetoxy-5-benzyloxycarbonyl-3,4-dicarboxy-2-(4-methyl-2,5-dioxo-tetrahydrofuran-3-yl)octanoate CAS Name: sodium 6-acetyloxy-3,4-dicarboxy-2-(4-methyl-2,5-dioxo-3-oxolanyl)-5-phenylmethoxycarbonyloctanoate IUPAC Name: sodium 6-acetyloxy-3,4-dicarboxy-2-(4-methyl-2,5-dioxooxolan-3-yl)-5-phenylmethoxycarbonyloctanoate Traditional Name: sodium 6-acetoxy-5-carbobenzoxy-3,4-dicarboxy-2-(2,5-diketo-4-methyl-tetrahydrofuran-3-yl)caprylate Formula: C25H27NaO13 MolecularWeight: 558.46385

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(C(C(C1C(C(=O)OC1=O)C)C(=O)[O-])C(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2)OC(=O)C.[Na+]

Isomeric SMILES

CCC(C(C(C(C(C1C(C(=O)OC1=O)C)C(=O)[O-])C(=O)O)C(=O)O)C(=O)OCC2=CC=CC=C2)OC(=O)C.[Na+]

InChI

InChI=1S/C25H28O13.Na/c1-4-14(37-12(3)26)16(24(34)36-10-13-8-6-5-7-9-13)18(21(29)30)19(22(31)32)17(20(27)28)15-11(2)23(33)38-25(15)35;/h5-9,11,14-19H,4,10H2,1-3H3,(H,27,28)(H,29,30)(H,31,32);/q;+1/p-1