(E)-2-(1,3-dithiolan-2-ylidene)-5-(3-hydroxyphenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(3-hydroxyphenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(3-hydroxyphenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(3-hydroxyphenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(3-hydroxyphenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-2-(1,3-dithiolan-2-ylidene)-5-(3-hydroxyphenyl)-3-keto-pent-4-enoic acid Formula: C14H12O4S2 MolecularWeight: 308.37268

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C(=O)C=CC2=CC(=CC=C2)O)C(=O)O)S1

Isomeric SMILES

C1CSC(=C(C(=O)/C=C/C2=CC(=CC=C2)O)C(=O)O)S1

InChI

InChI=1S/C14H12O4S2/c15-10-3-1-2-9(8-10)4-5-11(16)12(13(17)18)14-19-6-7-20-14/h1-5,8,15H,6-7H2,(H,17,18)/b5-4+