4-[1-(2-bromophenyl)sulfanylcyclopropyl]-8-cyclopropylidene-5-oxidanylidene-octanoic acid

Systemtic Name: 4-[1-(2-bromophenyl)sulfanylcyclopropyl]-8-cyclopropylidene-5-oxidanylidene-octanoic acid Openeye Name: 4-[1-(2-bromophenyl)sulfanylcyclopropyl]-8-cyclopropylidene-5-oxo-octanoic acid CAS Name: 4-[1-[(2-bromophenyl)thio]cyclopropyl]-8-cyclopropylidene-5-oxooctanoic acid IUPAC Name: 4-[1-(2-bromophenyl)sulfanylcyclopropyl]-8-cyclopropylidene-5-oxooctanoic acid Traditional Name: 4-[1-[(2-bromophenyl)thio]cyclopropyl]-8-cyclopropylidene-5-keto-caprylic acid Formula: C20H23BrO3S MolecularWeight: 423.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1=CCCC(=O)C(CCC(=O)O)C2(CC2)SC3=CC=CC=C3Br

Isomeric SMILES

C1CC1=CCCC(=O)C(CCC(=O)O)C2(CC2)SC3=CC=CC=C3Br

InChI

InChI=1S/C20H23BrO3S/c21-16-5-1-2-7-18(16)25-20(12-13-20)15(10-11-19(23)24)17(22)6-3-4-14-8-9-14/h1-2,4-5,7,15H,3,6,8-13H2,(H,23,24)