(E,2R)-2-(2-chlorophenyl)carbonyloxy-10-oxidanylidene-2-(thiolan-2-yl)heptadec-8-enoic acid

Systemtic Name: (E,2R)-2-(2-chlorophenyl)carbonyloxy-10-oxidanylidene-2-(thiolan-2-yl)heptadec-8-enoic acid Openeye Name: (E,2R)-2-(2-chlorobenzoyl)oxy-10-oxo-2-tetrahydrothiophen-2-yl-heptadec-8-enoic acid CAS Name: (E,2R)-2-[(2-chlorophenyl)-oxomethoxy]-10-oxo-2-(2-thiolanyl)-8-heptadecenoic acid IUPAC Name: (E,2R)-2-(2-chlorobenzoyl)oxy-10-oxo-2-(thiolan-2-yl)heptadec-8-enoic acid Traditional Name: (E,2R)-2-(2-chlorobenzoyl)oxy-10-keto-2-tetrahydrothiophen-2-yl-heptadec-8-enoic acid Formula: C28H39ClO5S MolecularWeight: 523.12426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C=CCCCCCC(C1CCCS1)(C(=O)O)OC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCC(=O)/C=C/CCCCC[C@](C1CCCS1)(C(=O)O)OC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C28H39ClO5S/c1-2-3-4-6-9-15-22(30)16-10-7-5-8-13-20-28(27(32)33,25-19-14-21-35-25)34-26(31)23-17-11-12-18-24(23)29/h10-12,16-18,25H,2-9,13-15,19-21H2,1H3,(H,32,33)/b16-10+/t25?,28-/m0/s1