(4E)-3-oxidanylidene-2-sulfanyl-4-[(3-sulfanylphenyl)methylidene]octanoic acid

Systemtic Name: (4E)-3-oxidanylidene-2-sulfanyl-4-[(3-sulfanylphenyl)methylidene]octanoic acid Openeye Name: (4E)-3-oxo-2-sulfanyl-4-[(3-sulfanylphenyl)methylene]octanoic acid CAS Name: (4E)-2-mercapto-4-[(3-mercaptophenyl)methylidene]-3-oxooctanoic acid IUPAC Name: (4E)-3-oxo-2-sulfanyl-4-[(3-sulfanylphenyl)methylidene]octanoic acid Traditional Name: (E)-4-butyl-3-keto-2-mercapto-5-(3-mercaptophenyl)pent-4-enoic acid Formula: C15H18O3S2 MolecularWeight: 310.43162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=CC(=CC=C1)S)C(=O)C(C(=O)O)S

Isomeric SMILES

CCCC/C(=C\C1=CC(=CC=C1)S)/C(=O)C(C(=O)O)S

InChI

InChI=1S/C15H18O3S2/c1-2-3-6-11(13(16)14(20)15(17)18)8-10-5-4-7-12(19)9-10/h4-5,7-9,14,19-20H,2-3,6H2,1H3,(H,17,18)/b11-8+