(E)-7-[(2E,4E)-6-oxidanylhepta-2,4-dienyl]sulfanylhept-5-enoic acid

Systemtic Name: (E)-7-[(2E,4E)-6-oxidanylhepta-2,4-dienyl]sulfanylhept-5-enoic acid Openeye Name: (E)-7-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]sulfanylhept-5-enoic acid CAS Name: (E)-7-[[(2E,4E)-6-hydroxyhepta-2,4-dienyl]thio]-5-heptenoic acid IUPAC Name: (E)-7-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]sulfanylhept-5-enoic acid Traditional Name: (E)-7-[[(2E,4E)-6-hydroxyhepta-2,4-dienyl]thio]hept-5-enoic acid Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC=CCSCC=CCCCC(=O)O)O

Isomeric SMILES

CC(/C=C/C=C/CSC/C=C/CCCC(=O)O)O

InChI

InChI=1S/C14H22O3S/c1-13(15)9-5-4-8-12-18-11-7-3-2-6-10-14(16)17/h3-5,7-9,13,15H,2,6,10-12H2,1H3,(H,16,17)/b7-3+,8-4+,9-5+