1,4-dimethoxy-2-[[3-oxidanylidene-2-[(4-sulfosulfanylphenyl)diazenyl]butanoyl]amino]benzene

Systemtic Name: 1,4-dimethoxy-2-[[3-oxidanylidene-2-[(4-sulfosulfanylphenyl)diazenyl]butanoyl]amino]benzene Openeye Name: 1,4-dimethoxy-2-[[3-oxo-2-(4-sulfosulfanylphenyl)azo-butanoyl]amino]benzene CAS Name: 2-[[1,3-dioxo-2-[4-(sulfothio)phenyl]azobutyl]amino]-1,4-dimethoxybenzene IUPAC Name: 1,4-dimethoxy-2-[[3-oxo-2-[(4-sulfosulfanylphenyl)diazenyl]butanoyl]amino]benzene Traditional Name: 2-[[3-keto-2-[4-(sulfothio)phenyl]azo-butanoyl]amino]-1,4-dimethoxy-benzene Formula: C18H19N3O7S2 MolecularWeight: 453.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)NC1=C(C=CC(=C1)OC)OC)N=NC2=CC=C(C=C2)SS(=O)(=O)O

Isomeric SMILES

CC(=O)C(C(=O)NC1=C(C=CC(=C1)OC)OC)N=NC2=CC=C(C=C2)SS(=O)(=O)O

InChI

InChI=1S/C18H19N3O7S2/c1-11(22)17(18(23)19-15-10-13(27-2)6-9-16(15)28-3)21-20-12-4-7-14(8-5-12)29-30(24,25)26/h4-10,17H,1-3H3,(H,19,23)(H,24,25,26)