2,5-diethoxy-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 2,5-diethoxy-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2,5-diethoxy-4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-2,5-diethoxybenzenesulfonic acid IUPAC Name: 2,5-diethoxy-4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)-2,5-diethoxy-besylic acid Formula: C14H19NO7S MolecularWeight: 345.36816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)CC(=O)C)OCC)S(=O)(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)CC(=O)C)OCC)S(=O)(=O)O

InChI

InChI=1S/C14H19NO7S/c1-4-21-11-8-13(23(18,19)20)12(22-5-2)7-10(11)15-14(17)6-9(3)16/h7-8H,4-6H2,1-3H3,(H,15,17)(H,18,19,20)