[[4-[[3,5-bis(dioxidanylmethyl)phenyl]diazenyl]-2-methoxy-phenyl]amino]methanesulfonate

Systemtic Name: [[4-[[3,5-bis(dioxidanylmethyl)phenyl]diazenyl]-2-methoxy-phenyl]amino]methanesulfonate Openeye Name: [4-[3,5-bis(hydroperoxymethyl)phenyl]azo-2-methoxy-anilino]methanesulfonate CAS Name: [4-[3,5-bis(hydroperoxymethyl)phenyl]azo-2-methoxyanilino]methanesulfonate IUPAC Name: [4-[[3,5-bis(hydroperoxymethyl)phenyl]diazenyl]-2-methoxyanilino]methanesulfonate Traditional Name: [4-[3,5-bis(hydroperoxymethyl)phenyl]azo-2-methoxy-anilino]methanesulfonate Formula: C16H18N3O8S- MolecularWeight: 412.39442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC(=C2)COO)COO)NCS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC(=C2)COO)COO)NCS(=O)(=O)[O-]

InChI

InChI=1S/C16H19N3O8S/c1-25-16-7-13(2-3-15(16)17-10-28(22,23)24)18-19-14-5-11(8-26-20)4-12(6-14)9-27-21/h2-7,17,20-21H,8-10H2,1H3,(H,22,23,24)/p-1