2-(methylsulfonylaminosulfanyl)propanoic acid; 2-[2-(8-phenyloctyl)phenyl]cyclopropan-1-one

Systemtic Name: 2-(methylsulfonylaminosulfanyl)propanoic acid; 2-[2-(8-phenyloctyl)phenyl]cyclopropan-1-one Openeye Name: 2-(methanesulfonamidosulfanyl)propanoic acid; 2-[2-(8-phenyloctyl)phenyl]cyclopropanone CAS Name: 2-(methanesulfonamidothio)propanoic acid; 2-[2-(8-phenyloctyl)phenyl]-1-cyclopropanone IUPAC Name: 2-(methanesulfonamidosulfanyl)propanoic acid; 2-[2-(8-phenyloctyl)phenyl]cyclopropan-1-one Traditional Name: 2-(methanesulfonamidothio)propionic acid; 2-[2-(8-phenyloctyl)phenyl]cyclopropanone Formula: C27H37NO5S2 MolecularWeight: 519.71638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SNS(=O)(=O)C.C1C(C1=O)C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)SNS(=O)(=O)C.C1C(C1=O)C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C23H28O.C4H9NO4S2/c24-23-18-22(23)21-17-11-10-16-20(21)15-9-4-2-1-3-6-12-19-13-7-5-8-14-19;1-3(4(6)7)10-5-11(2,8)9/h5,7-8,10-11,13-14,16-17,22H,1-4,6,9,12,15,18H2;3,5H,1-2H3,(H,6,7)