2-oxidanyl-2-(6-oxidanylhexylamino)-1-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]-3-sulfanyl-propan-1-one

Systemtic Name: 2-oxidanyl-2-(6-oxidanylhexylamino)-1-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]-3-sulfanyl-propan-1-one Openeye Name: 2-hydroxy-2-(6-hydroxyhexylamino)-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-sulfanyl-propan-1-one CAS Name: 2-hydroxy-2-(6-hydroxyhexylamino)-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-mercapto-1-propanone IUPAC Name: 2-hydroxy-2-(6-hydroxyhexylamino)-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-sulfanylpropan-1-one Traditional Name: 2-hydroxy-2-(6-hydroxyhexylamino)-1-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-mercapto-propan-1-one Formula: C26H41NO4S MolecularWeight: 463.67304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC1=CC(=CC=C1)C(=O)C(CS)(NCCCCCCO)O)O

Isomeric SMILES

CCCCC/C=C/CC(/C=C/C1=CC(=CC=C1)C(=O)C(CS)(NCCCCCCO)O)O

InChI

InChI=1S/C26H41NO4S/c1-2-3-4-5-6-9-15-24(29)17-16-22-13-12-14-23(20-22)25(30)26(31,21-32)27-18-10-7-8-11-19-28/h6,9,12-14,16-17,20,24,27-29,31-32H,2-5,7-8,10-11,15,18-19,21H2,1H3/b9-6+,17-16+