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sodium 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-nonanoate

sodium 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-nonanoate

Systemtic Name:sodium 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-nonanoate
Openeye Name:sodium 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-nonanoate
CAS Name:sodium 5-ethyl-3-[oxo-[(E)-prop-1-enoxy]methyl]-3-sulfononanoate
IUPAC Name:sodium 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfononanoate
Traditional Name:sodium 5-ethyl-3-[(E)-prop-1-enoxy]carbonyl-3-sulfo-pelargonate
Formula: C15H25NaO7S
MolecularWeight: 372.40957
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(=O)[O-])(C(=O)OC=CC)S(=O)(=O)O.[Na+]


Isomeric SMILES

CCCCC(CC)CC(CC(=O)[O-])(C(=O)O/C=C/C)S(=O)(=O)O.[Na+]


InChI

InChI=1S/C15H26O7S.Na/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);/q;+1/p-1/b9-5+;


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