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4-[(E)-octadec-1-enoxy]-4-oxidanylidene-2-sulfo-butanoic acid

4-[(E)-octadec-1-enoxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name:4-[(E)-octadec-1-enoxy]-4-oxidanylidene-2-sulfo-butanoic acid
Openeye Name:4-[(E)-octadec-1-enoxy]-4-oxo-2-sulfo-butanoic acid
CAS Name:4-[(E)-octadec-1-enoxy]-4-oxo-2-sulfobutanoic acid
IUPAC Name:4-[(E)-octadec-1-enoxy]-4-oxo-2-sulfobutanoic acid
Traditional Name:4-keto-4-[(E)-octadec-1-enoxy]-2-sulfo-butyric acid
Formula: C22H40O7S
MolecularWeight: 448.6138
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=COC(=O)CC(C(=O)O)S(=O)(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/OC(=O)CC(C(=O)O)S(=O)(=O)O


InChI

InChI=1S/C22H40O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28/h17-18,20H,2-16,19H2,1H3,(H,24,25)(H,26,27,28)/b18-17+


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