(1Z,4E)-2-methylsulfanylperoxy-1-oxidanyl-1-phenylazanyl-hexa-1,4-dien-3-one

Systemtic Name: (1Z,4E)-2-methylsulfanylperoxy-1-oxidanyl-1-phenylazanyl-hexa-1,4-dien-3-one Openeye Name: (1Z,4E)-1-anilino-1-hydroxy-2-methylsulfanylperoxy-hexa-1,4-dien-3-one CAS Name: methanesulfenic acid [(1Z,4E)-1-anilino-1-hydroxy-3-oxohexa-1,4-dien-2-yl]oxy ester IUPAC Name: (1Z,4E)-1-anilino-1-hydroxy-2-methylsulfanylperoxyhexa-1,4-dien-3-one Traditional Name: (1Z,4E)-1-anilino-1-hydroxy-2-(methylthio)peroxy-hexa-1,4-dien-3-one Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(=C(NC1=CC=CC=C1)O)OOSC

Isomeric SMILES

C/C=C/C(=O)/C(=C(\NC1=CC=CC=C1)/O)/OOSC

InChI

InChI=1S/C13H15NO4S/c1-3-7-11(15)12(17-18-19-2)13(16)14-10-8-5-4-6-9-10/h3-9,14,16H,1-2H3/b7-3+,13-12-