(E)-3-(4-oxidanylidene-2-sulfanyl-cyclohexa-1,5-dien-1-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-oxidanylidene-2-sulfanyl-cyclohexa-1,5-dien-1-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-oxo-2-sulfanyl-cyclohexa-1,5-dien-1-yl)prop-2-enoic acid CAS Name: (E)-3-(2-mercapto-4-oxo-1-cyclohexa-1,5-dienyl)-2-propenoic acid IUPAC Name: (E)-3-(4-oxo-2-sulfanylcyclohexa-1,5-dien-1-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-keto-2-mercapto-cyclohexa-1,5-dien-1-yl)acrylic acid Formula: C9H8O3S MolecularWeight: 196.22302

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C=CC(=C1S)C=CC(=O)O

Isomeric SMILES

C1C(=O)C=CC(=C1S)/C=C/C(=O)O

InChI

InChI=1S/C9H8O3S/c10-7-3-1-6(8(13)5-7)2-4-9(11)12/h1-4,13H,5H2,(H,11,12)/b4-2+