[4-[1-methylsulfonyloxy-2-(propan-2-ylamino)ethyl]-2-oxidanyl-phenyl] octadecanoate

Systemtic Name: [4-[1-methylsulfonyloxy-2-(propan-2-ylamino)ethyl]-2-oxidanyl-phenyl] octadecanoate Openeye Name: [2-hydroxy-4-[2-(isopropylamino)-1-methylsulfonyloxy-ethyl]phenyl] octadecanoate CAS Name: octadecanoic acid [2-hydroxy-4-[1-methylsulfonyloxy-2-(propan-2-ylamino)ethyl]phenyl] ester IUPAC Name: [2-hydroxy-4-[1-methylsulfonyloxy-2-(propan-2-ylamino)ethyl]phenyl] octadecanoate Traditional Name: stearic acid [2-hydroxy-4-[2-(isopropylamino)-1-methylsulfonyloxy-ethyl]phenyl] ester Formula: C30H53NO6S MolecularWeight: 555.80992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(CNC(C)C)OS(=O)(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(CNC(C)C)OS(=O)(=O)C)O

InChI

InChI=1S/C30H53NO6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(33)36-28-22-21-26(23-27(28)32)29(24-31-25(2)3)37-38(4,34)35/h21-23,25,29,31-32H,5-20,24H2,1-4H3