(E)-2-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylbut-2-enedioic acid

Systemtic Name: (E)-2-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)sulfanylbut-2-enedioic acid Openeye Name: (E)-2-(4-acetyl-3-hydroxy-2-propyl-phenyl)sulfanylbut-2-enedioic acid CAS Name: (E)-2-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]-2-butenedioic acid IUPAC Name: (E)-2-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylbut-2-enedioic acid Traditional Name: (E)-2-[(4-acetyl-3-hydroxy-2-propyl-phenyl)thio]but-2-enedioic acid Formula: C15H16O6S MolecularWeight: 324.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SC(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)S/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C15H16O6S/c1-3-4-10-11(6-5-9(8(2)16)14(10)19)22-12(15(20)21)7-13(17)18/h5-7,19H,3-4H2,1-2H3,(H,17,18)(H,20,21)/b12-7+