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(E)-19-sulfooxynonadec-2-ene-1,2,3-tricarboxylic acid

(E)-19-sulfooxynonadec-2-ene-1,2,3-tricarboxylic acid

Systemtic Name:(E)-19-sulfooxynonadec-2-ene-1,2,3-tricarboxylic acid
Openeye Name:(E)-19-sulfooxynonadec-2-ene-1,2,3-tricarboxylic acid
CAS Name:(E)-19-sulfooxy-2-nonadecene-1,2,3-tricarboxylic acid
IUPAC Name:(E)-19-sulfooxynonadec-2-ene-1,2,3-tricarboxylic acid
Traditional Name:(E)-19-sulfoxynonadec-2-ene-1,2,3-tricarboxylic acid
Formula: C22H38O10S
MolecularWeight: 494.59612
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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCOS(=O)(=O)O)CCCCCCCC(=C(CC(=O)O)C(=O)O)C(=O)O


Isomeric SMILES

C(CCCCCCCCOS(=O)(=O)O)CCCCCCC/C(=C(/CC(=O)O)\C(=O)O)/C(=O)O


InChI

InChI=1S/C22H38O10S/c23-20(24)17-19(22(27)28)18(21(25)26)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-32-33(29,30)31/h1-17H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30,31)/b19-18+


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