O4-methyl O1-sulfo 2-methylbutanedioate

Systemtic Name: O4-methyl O1-sulfo 2-methylbutanedioate Openeye Name: O4-methyl O1-sulfo 2-methylbutanedioate CAS Name: 2-methylbutanedioic acid O4-methyl ester O1-sulfo ester IUPAC Name: 4-O-methyl 1-O-sulfo 2-methylbutanedioate Traditional Name: 2-methylsuccinic acid O4-methyl ester O1-sulfo ester Formula: C6H10O7S MolecularWeight: 226.2044

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)OS(=O)(=O)O

Isomeric SMILES

CC(CC(=O)OC)C(=O)OS(=O)(=O)O

InChI

InChI=1S/C6H10O7S/c1-4(3-5(7)12-2)6(8)13-14(9,10)11/h4H,3H2,1-2H3,(H,9,10,11)