(E)-3-(dioxidanyl)-4-(3-methoxy-2-methyl-3-oxidanylidene-propyl)sulfanyl-but-3-enoic acid

Systemtic Name: (E)-3-(dioxidanyl)-4-(3-methoxy-2-methyl-3-oxidanylidene-propyl)sulfanyl-but-3-enoic acid Openeye Name: (E)-3-hydroperoxy-4-(3-methoxy-2-methyl-3-oxo-propyl)sulfanyl-but-3-enoic acid CAS Name: (E)-3-hydroperoxy-4-[(3-methoxy-2-methyl-3-oxopropyl)thio]-3-butenoic acid IUPAC Name: (E)-3-hydroperoxy-4-(3-methoxy-2-methyl-3-oxopropyl)sulfanylbut-3-enoic acid Traditional Name: (E)-3-hydroperoxy-4-[(3-keto-3-methoxy-2-methyl-propyl)thio]but-3-enoic acid Formula: C9H14O6S MolecularWeight: 250.26886

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC=C(CC(=O)O)OO)C(=O)OC

Isomeric SMILES

CC(CS/C=C(\CC(=O)O)/OO)C(=O)OC

InChI

InChI=1S/C9H14O6S/c1-6(9(12)14-2)4-16-5-7(15-13)3-8(10)11/h5-6,13H,3-4H2,1-2H3,(H,10,11)/b7-5+