N-[(6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazinylidene]-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalen-2-yl]ethanamide

Systemtic Name: N-[(6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazinylidene]-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalen-2-yl]ethanamide Openeye Name: N-[(6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazono]-5-oxo-7-(trioxidanylsulfanyl)-2-naphthyl]acetamide CAS Name: (3Z)-7-acetamido-3-[(2-butoxy-4-octylphenyl)hydrazinylidene]-4-oxo-2-naphthalenesulfenic acid hydroperoxy ester IUPAC Name: N-[(6Z)-6-[(2-butoxy-4-octylphenyl)hydrazinylidene]-5-oxo-7-(trioxidanylsulfanyl)naphthalen-2-yl]acetamide Traditional Name: N-[(6Z)-6-[(2-butoxy-4-octyl-phenyl)hydrazono]-5-keto-7-(trioxidanylthio)-2-naphthyl]acetamide Formula: C30H39N3O6S MolecularWeight: 569.71216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C)SOOO)OCCCC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C)SOOO)OCCCC

InChI

InChI=1S/C30H39N3O6S/c1-4-6-8-9-10-11-12-22-13-16-26(27(18-22)37-17-7-5-2)32-33-29-28(40-39-38-36)20-23-19-24(31-21(3)34)14-15-25(23)30(29)35/h13-16,18-20,32,36H,4-12,17H2,1-3H3,(H,31,34)/b33-29+