4-chloranyl-2-[[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]diazenyl]-5-methyl-benzenesulfonic acid

Systemtic Name: 4-chloranyl-2-[[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]diazenyl]-5-methyl-benzenesulfonic acid Openeye Name: 4-chloro-2-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)azo-5-methyl-benzenesulfonic acid CAS Name: 4-chloro-2-(1,3-diethoxy-1,3-dioxopropan-2-yl)azo-5-methylbenzenesulfonic acid IUPAC Name: 4-chloro-2-[(1,3-diethoxy-1,3-dioxopropan-2-yl)diazenyl]-5-methylbenzenesulfonic acid Traditional Name: 2-(1-carbethoxy-2-ethoxy-2-keto-ethyl)azo-4-chloro-5-methyl-besylic acid Formula: C14H17ClN2O7S MolecularWeight: 392.81198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N=NC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N=NC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)O

InChI

InChI=1S/C14H17ClN2O7S/c1-4-23-13(18)12(14(19)24-5-2)17-16-10-7-9(15)8(3)6-11(10)25(20,21)22/h6-7,12H,4-5H2,1-3H3,(H,20,21,22)