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

Systemtic Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enoic acid Traditional Name: (E)-5-(1,3-benzodioxol-5-yl)-2-(1,3-dithiolan-2-ylidene)-3-keto-pent-4-enoic acid Formula: C15H12O5S2 MolecularWeight: 336.38278

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)O)S1

Isomeric SMILES

C1CSC(=C(C(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)O)S1

InChI

InChI=1S/C15H12O5S2/c16-10(13(14(17)18)15-21-5-6-22-15)3-1-9-2-4-11-12(7-9)20-8-19-11/h1-4,7H,5-6,8H2,(H,17,18)/b3-1+