2-azanyl-3-ethoxy-6-methyl-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid

Systemtic Name: 2-azanyl-3-ethoxy-6-methyl-4-(3-oxidanylidenebutanoyl)benzenesulfonic acid Openeye Name: 2-amino-3-ethoxy-6-methyl-4-(3-oxobutanoyl)benzenesulfonic acid CAS Name: 2-amino-4-(1,3-dioxobutyl)-3-ethoxy-6-methylbenzenesulfonic acid IUPAC Name: 2-amino-3-ethoxy-6-methyl-4-(3-oxobutanoyl)benzenesulfonic acid Traditional Name: 4-acetoacetyl-2-amino-3-ethoxy-6-methyl-besylic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1C(=O)CC(=O)C)C)S(=O)(=O)O)N

Isomeric SMILES

CCOC1=C(C(=C(C=C1C(=O)CC(=O)C)C)S(=O)(=O)O)N

InChI

InChI=1S/C13H17NO6S/c1-4-20-12-9(10(16)6-8(3)15)5-7(2)13(11(12)14)21(17,18)19/h5H,4,6,14H2,1-3H3,(H,17,18,19)