3-(2-carboxyethylsulfanyl)-3-(2-dodec-1-ynylphenyl)propanoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodec-1-ynylphenyl)propanoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodec-1-ynylphenyl)propanoic acid CAS Name: 3-(2-carboxyethylthio)-3-(2-dodec-1-ynylphenyl)propanoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)-3-(2-dodec-1-ynylphenyl)propanoic acid Traditional Name: 3-(2-carboxyethylthio)-3-(2-dodec-1-ynylphenyl)propionic acid Formula: C24H34O4S MolecularWeight: 418.58936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC=CC=C1C(CC(=O)O)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CC=CC=C1C(CC(=O)O)SCCC(=O)O

InChI

InChI=1S/C24H34O4S/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-13-16-21(20)22(19-24(27)28)29-18-17-23(25)26/h12-13,15-16,22H,2-10,17-19H2,1H3,(H,25,26)(H,27,28)