5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-nonanoic acid

Systemtic Name: 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-nonanoic acid Openeye Name: 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-nonanoic acid CAS Name: 5-ethyl-3-[oxo-[(E)-prop-1-enoxy]methyl]-3-sulfononanoic acid IUPAC Name: 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfononanoic acid Traditional Name: 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-pelargonic acid Formula: C15H26O7S MolecularWeight: 350.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(=O)O)(C(=O)OC=CC)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CC(CC(=O)O)(C(=O)O/C=C/C)S(=O)(=O)O

InChI

InChI=1S/C15H26O7S/c1-4-7-8-12(6-3)10-15(11-13(16)17,23(19,20)21)14(18)22-9-5-2/h5,9,12H,4,6-8,10-11H2,1-3H3,(H,16,17)(H,19,20,21)/b9-5+