2-[(5Z,8E,11Z)-1-thiacycloheptadeca-5,8,11-trien-2-yl]ethanoic acid

Systemtic Name: 2-[(5Z,8E,11Z)-1-thiacycloheptadeca-5,8,11-trien-2-yl]ethanoic acid Openeye Name: 2-[(5Z,8E,11Z)-1-thiacycloheptadeca-5,8,11-trien-2-yl]acetic acid CAS Name: 2-[(5Z,8E,11Z)-1-thiacycloheptadeca-5,8,11-trien-2-yl]acetic acid IUPAC Name: 2-[(5Z,8E,11Z)-1-thiacycloheptadeca-5,8,11-trien-2-yl]acetic acid Traditional Name: 2-[(5Z,8E,11Z)-1-thiacycloheptadeca-5,8,11-trien-2-yl]acetic acid Formula: C18H28O2S MolecularWeight: 308.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC=CCC=CCC=CCCC(SCC1)CC(=O)O

Isomeric SMILES

C1CC/C=C\C/C=C/C/C=C\CCC(SCC1)CC(=O)O

InChI

InChI=1S/C18H28O2S/c19-18(20)16-17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-21-17/h2-5,8,10,17H,1,6-7,9,11-16H2,(H,19,20)/b4-2+,5-3-,10-8-