4-(2,2-dimethylpropanoyloxy)-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonic acid

Systemtic Name: 4-(2,2-dimethylpropanoyloxy)-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonic acid Openeye Name: 4-(2,2-dimethylpropanoyloxy)-3-(2-pyridylazo)naphthalene-1-sulfonic acid CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)-3-(2-pyridinylazo)-1-naphthalenesulfonic acid IUPAC Name: 4-(2,2-dimethylpropanoyloxy)-3-(pyridin-2-yldiazenyl)naphthalene-1-sulfonic acid Traditional Name: 4-pivaloyloxy-3-(2-pyridylazo)naphthalene-1-sulfonic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)N=NC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C2=CC=CC=C21)S(=O)(=O)O)N=NC3=CC=CC=N3

InChI

InChI=1S/C20H19N3O5S/c1-20(2,3)19(24)28-18-14-9-5-4-8-13(14)16(29(25,26)27)12-15(18)22-23-17-10-6-7-11-21-17/h4-12H,1-3H3,(H,25,26,27)