3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)octanoic acid

Systemtic Name: 3-(2-methoxy-4-propan-2-ylsulfonyl-phenyl)octanoic acid Openeye Name: 3-(4-isopropylsulfonyl-2-methoxy-phenyl)octanoic acid CAS Name: 3-(2-methoxy-4-propan-2-ylsulfonylphenyl)octanoic acid IUPAC Name: 3-(2-methoxy-4-propan-2-ylsulfonylphenyl)octanoic acid Traditional Name: 3-(4-isopropylsulfonyl-2-methoxy-phenyl)caprylic acid Formula: C18H28O5S MolecularWeight: 356.47692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)O)C1=C(C=C(C=C1)S(=O)(=O)C(C)C)OC

Isomeric SMILES

CCCCCC(CC(=O)O)C1=C(C=C(C=C1)S(=O)(=O)C(C)C)OC

InChI

InChI=1S/C18H28O5S/c1-5-6-7-8-14(11-18(19)20)16-10-9-15(12-17(16)23-4)24(21,22)13(2)3/h9-10,12-14H,5-8,11H2,1-4H3,(H,19,20)