tetrasodium 3-[4-oxidanidyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]oxycarbonyl-3-sulfonato-henicosanoate

Systemtic Name: tetrasodium 3-[4-oxidanidyl-1-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]oxycarbonyl-3-sulfonato-henicosanoate Openeye Name: tetrasodium 3-(1-carboxy-3-oxido-3-oxo-propoxy)carbonyl-3-sulfonato-henicosanoate CAS Name: tetrasodium 3-[(1-hydroxy-4-oxido-1,4-dioxobutan-2-yl)oxy-oxomethyl]-3-sulfonatoheneicosanoate IUPAC Name: tetrasodium 3-(1-hydroxy-4-oxido-1,4-dioxobutan-2-yl)oxycarbonyl-3-sulfonatohenicosanoate Traditional Name: tetrasodium 3-(1-carboxy-3-keto-3-oxido-propoxy)carbonyl-3-sulfonato-heneicosanoate Formula: C104H172Na4O44S4-8 MolecularWeight: 2346.67116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCC(CC(=O)[O-])(C(=O)OC(CC(=O)[O-])C(=O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/4C26H46O11S.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(20-23(29)30,38(34,35)36)25(33)37-21(24(31)32)19-22(27)28;;;;/h4*21H,2-20H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,34,35,36);;;;/q;;;;4*+1/p-12