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4-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-3-sulfo-butanoic acid

4-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name:4-[(E)-octadec-9-enoyl]oxy-4-oxidanylidene-3-sulfo-butanoic acid
Openeye Name:4-[(E)-octadec-9-enoyl]oxy-4-oxo-3-sulfo-butanoic acid
CAS Name:4-oxo-4-[(E)-1-oxooctadec-9-enoxy]-3-sulfobutanoic acid
IUPAC Name:4-[(E)-octadec-9-enoyl]oxy-4-oxo-3-sulfobutanoic acid
Traditional Name:4-keto-4-[(E)-octadec-9-enoyl]oxy-3-sulfo-butyric acid
Formula: C22H38O8S
MolecularWeight: 462.59732
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H38O8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)30-22(26)19(18-20(23)24)31(27,28)29/h9-10,19H,2-8,11-18H2,1H3,(H,23,24)(H,27,28,29)/b10-9+


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