6-oxidanylidene-6-[4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propylsulfonyl]phenyl]hexanoic acid

Systemtic Name: 6-oxidanylidene-6-[4-[3-[4-(1-oxidanyl-4-oxidanylidene-pentan-2-yl)phenoxy]propylsulfonyl]phenyl]hexanoic acid Openeye Name: 6-[4-[3-[4-[1-(hydroxymethyl)-3-oxo-butyl]phenoxy]propylsulfonyl]phenyl]-6-oxo-hexanoic acid CAS Name: 6-[4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propylsulfonyl]phenyl]-6-oxohexanoic acid IUPAC Name: 6-[4-[3-[4-(1-hydroxy-4-oxopentan-2-yl)phenoxy]propylsulfonyl]phenyl]-6-oxohexanoic acid Traditional Name: 6-keto-6-[4-[3-[4-(3-keto-1-methylol-butyl)phenoxy]propylsulfonyl]phenyl]hexanoic acid Formula: C26H32O8S MolecularWeight: 504.59248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CO)C1=CC=C(C=C1)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCCCC(=O)O

Isomeric SMILES

CC(=O)CC(CO)C1=CC=C(C=C1)OCCCS(=O)(=O)C2=CC=C(C=C2)C(=O)CCCCC(=O)O

InChI

InChI=1S/C26H32O8S/c1-19(28)17-22(18-27)20-7-11-23(12-8-20)34-15-4-16-35(32,33)24-13-9-21(10-14-24)25(29)5-2-3-6-26(30)31/h7-14,22,27H,2-6,15-18H2,1H3,(H,30,31)