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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxidanylidene-pent-4-enoic acid Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxo-pent-4-enoic acid CAS Name: 5-(3,4-dimethoxyphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxo-4-pentenoic acid IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enoic acid Traditional Name: 5-(3,4-dimethoxyphenyl)-2-(1,3-dithiolan-2-ylidene)-3-keto-pent-4-enoic acid Formula: C16H16O5S2 MolecularWeight: 352.42524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C(=C2SCCS2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)C(=C2SCCS2)C(=O)O)OC

InChI

InChI=1S/C16H16O5S2/c1-20-12-6-4-10(9-13(12)21-2)3-5-11(17)14(15(18)19)16-22-7-8-23-16/h3-6,9H,7-8H2,1-2H3,(H,18,19)