[4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-propylpentanoate

Systemtic Name: [4-(5-sulfanylidene-1,2-dithiol-3-yl)phenyl] 2-propylpentanoate Openeye Name: [4-(5-thioxodithiol-3-yl)phenyl] 2-propylpentanoate CAS Name: 2-propylpentanoic acid [4-(5-sulfanylidene-3-dithiolyl)phenyl] ester IUPAC Name: [4-(5-sulfanylidenedithiol-3-yl)phenyl] 2-propylpentanoate Traditional Name: 2-propylvaleric acid [4-(5-thioxodithiol-3-yl)phenyl] ester Formula: C17H20O2S3 MolecularWeight: 352.5345

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)OC1=CC=C(C=C1)C2=CC(=S)SS2

Isomeric SMILES

CCCC(CCC)C(=O)OC1=CC=C(C=C1)C2=CC(=S)SS2

InChI

InChI=1S/C17H20O2S3/c1-3-5-13(6-4-2)17(18)19-14-9-7-12(8-10-14)15-11-16(20)22-21-15/h7-11,13H,3-6H2,1-2H3