6-(2-methoxycarbonylphenyl)sulfanyl-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-heptanoic acid

Systemtic Name: 6-(2-methoxycarbonylphenyl)sulfanyl-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-heptanoic acid Openeye Name: 7-tert-butoxy-6-(2-methoxycarbonylphenyl)sulfanyl-7-oxo-heptanoic acid CAS Name: 6-[(2-methoxycarbonylphenyl)thio]-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid IUPAC Name: 6-(2-methoxycarbonylphenyl)sulfanyl-7-[(2-methylpropan-2-yl)oxy]-7-oxoheptanoic acid Traditional Name: 7-tert-butoxy-6-[(2-carbomethoxyphenyl)thio]-7-keto-enanthic acid Formula: C19H26O6S MolecularWeight: 382.47114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCC(=O)O)SC1=CC=CC=C1C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCC(=O)O)SC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C19H26O6S/c1-19(2,3)25-18(23)15(11-7-8-12-16(20)21)26-14-10-6-5-9-13(14)17(22)24-4/h5-6,9-10,15H,7-8,11-12H2,1-4H3,(H,20,21)