4-[(3-ethanoyl-2-oxidanylidene-oxolan-3-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-[(3-ethanoyl-2-oxidanylidene-oxolan-3-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-(3-acetyl-2-oxo-tetrahydrofuran-3-yl)azobenzenesulfonic acid CAS Name: 4-[(3-acetyl-2-oxo-3-oxolanyl)azo]benzenesulfonic acid IUPAC Name: 4-[(3-acetyl-2-oxooxolan-3-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-(3-acetyl-2-keto-tetrahydrofuran-3-yl)azobesylic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCOC1=O)N=NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1(CCOC1=O)N=NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O6S/c1-8(15)12(6-7-20-11(12)16)14-13-9-2-4-10(5-3-9)21(17,18)19/h2-5H,6-7H2,1H3,(H,17,18,19)