4,4-dimethyl-3-pentoxycarbonyl-3-sulfo-hexanoic acid

Systemtic Name: 4,4-dimethyl-3-pentoxycarbonyl-3-sulfo-hexanoic acid Openeye Name: 4,4-dimethyl-3-pentoxycarbonyl-3-sulfo-hexanoic acid CAS Name: 4,4-dimethyl-3-[oxo(pentoxy)methyl]-3-sulfohexanoic acid IUPAC Name: 4,4-dimethyl-3-pentoxycarbonyl-3-sulfohexanoic acid Traditional Name: 3-amoxycarbonyl-4,4-dimethyl-3-sulfo-hexanoic acid Formula: C14H26O7S MolecularWeight: 338.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C(CC(=O)O)(C(C)(C)CC)S(=O)(=O)O

Isomeric SMILES

CCCCCOC(=O)C(CC(=O)O)(C(C)(C)CC)S(=O)(=O)O

InChI

InChI=1S/C14H26O7S/c1-5-7-8-9-21-12(17)14(10-11(15)16,22(18,19)20)13(3,4)6-2/h5-10H2,1-4H3,(H,15,16)(H,18,19,20)