2,2-bis[[(E)-9-oxidanylidenenon-5-en-7-ynyl]sulfonyl]ethanoic acid

Systemtic Name: 2,2-bis[[(E)-9-oxidanylidenenon-5-en-7-ynyl]sulfonyl]ethanoic acid Openeye Name: 2,2-bis[[(E)-9-oxonon-5-en-7-ynyl]sulfonyl]acetic acid CAS Name: 2,2-bis[[(E)-9-oxonon-5-en-7-ynyl]sulfonyl]acetic acid IUPAC Name: 2,2-bis[[(E)-9-oxonon-5-en-7-ynyl]sulfonyl]acetic acid Traditional Name: 2,2-bis[[(E)-9-ketonon-5-en-7-ynyl]sulfonyl]acetic acid Formula: C20H24O8S2 MolecularWeight: 456.52976

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Descriptors Computed from Structure

Canonical SMILES:

C(CCS(=O)(=O)C(C(=O)O)S(=O)(=O)CCCCC=CC#CC=O)CC=CC#CC=O

Isomeric SMILES

C(C/C=C/C#CC=O)CCS(=O)(=O)C(S(=O)(=O)CCCC/C=C/C#CC=O)C(=O)O

InChI

InChI=1S/C20H24O8S2/c21-15-11-7-3-1-5-9-13-17-29(25,26)20(19(23)24)30(27,28)18-14-10-6-2-4-8-12-16-22/h1-4,15-16,20H,5-6,9-10,13-14,17-18H2,(H,23,24)/b3-1+,4-2+