(E)-2-(1,3-dithiolan-2-ylidene)-6,6-dimethyl-3-oxidanylidene-hept-4-enoic acid

Systemtic Name: (E)-2-(1,3-dithiolan-2-ylidene)-6,6-dimethyl-3-oxidanylidene-hept-4-enoic acid Openeye Name: (E)-2-(1,3-dithiolan-2-ylidene)-6,6-dimethyl-3-oxo-hept-4-enoic acid CAS Name: (E)-2-(1,3-dithiolan-2-ylidene)-6,6-dimethyl-3-oxo-4-heptenoic acid IUPAC Name: (E)-2-(1,3-dithiolan-2-ylidene)-6,6-dimethyl-3-oxohept-4-enoic acid Traditional Name: (E)-2-(1,3-dithiolan-2-ylidene)-3-keto-6,6-dimethyl-hept-4-enoic acid Formula: C12H16O3S2 MolecularWeight: 272.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CC(=O)C(=C1SCCS1)C(=O)O

Isomeric SMILES

CC(C)(C)/C=C/C(=O)C(=C1SCCS1)C(=O)O

InChI

InChI=1S/C12H16O3S2/c1-12(2,3)5-4-8(13)9(10(14)15)11-16-6-7-17-11/h4-5H,6-7H2,1-3H3,(H,14,15)/b5-4+