sodium 5-methyl-3-(3-methylbutoxycarbonyl)-1-(2-methylpropoxy)-1-oxidanylidene-hexane-3-sulfonic acid

Systemtic Name: sodium 5-methyl-3-(3-methylbutoxycarbonyl)-1-(2-methylpropoxy)-1-oxidanylidene-hexane-3-sulfonic acid Openeye Name: sodium 1-isobutoxy-3-isopentyloxycarbonyl-5-methyl-1-oxo-hexane-3-sulfonic acid CAS Name: sodium 5-methyl-3-[3-methylbutoxy(oxo)methyl]-1-(2-methylpropoxy)-1-oxo-3-hexanesulfonic acid IUPAC Name: sodium 5-methyl-3-(3-methylbutoxycarbonyl)-1-(2-methylpropoxy)-1-oxohexane-3-sulfonic acid Traditional Name: sodium 3-isoamoxycarbonyl-1-isobutoxy-1-keto-5-methyl-hexane-3-sulfonic acid Formula: C17H32NaO7S+ MolecularWeight: 403.48655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(CC(C)C)(CC(=O)OCC(C)C)S(=O)(=O)O.[Na+]

Isomeric SMILES

CC(C)CCOC(=O)C(CC(C)C)(CC(=O)OCC(C)C)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H32O7S.Na/c1-12(2)7-8-23-16(19)17(9-13(3)4,25(20,21)22)10-15(18)24-11-14(5)6;/h12-14H,7-11H2,1-6H3,(H,20,21,22);/q;+1