sodium O1-methyl O4-sulfo 1-methylcyclohexane-1,4-dicarboxylate

Systemtic Name: sodium O1-methyl O4-sulfo 1-methylcyclohexane-1,4-dicarboxylate Openeye Name: sodium O1-methyl O4-sulfo 1-methylcyclohexane-1,4-dicarboxylate CAS Name: sodium 1-methylcyclohexane-1,4-dicarboxylic acid O1-methyl ester O4-sulfo ester IUPAC Name: sodium 1-O-methyl 4-O-sulfo 1-methylcyclohexane-1,4-dicarboxylate Traditional Name: sodium 1-methylcyclohexane-1,4-dicarboxylic acid O1-methyl ester O4-sulfo ester Formula: C10H15NaO7S MolecularWeight: 302.27667

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC([CH-]C1)C(=O)OS(=O)(=O)O)C(=O)OC.[Na+]

Isomeric SMILES

CC1(CCC([CH-]C1)C(=O)OS(=O)(=O)O)C(=O)OC.[Na+]

InChI

InChI=1S/C10H15O7S.Na/c1-10(9(12)16-2)5-3-7(4-6-10)8(11)17-18(13,14)15;/h3,7H,4-6H2,1-2H3,(H,13,14,15);/q-1;+1