4-methoxy-5-(3-oxidanylidenebutanoylamino)benzene-1,2-disulfonic acid

Systemtic Name: 4-methoxy-5-(3-oxidanylidenebutanoylamino)benzene-1,2-disulfonic acid Openeye Name: 4-methoxy-5-(3-oxobutanoylamino)benzene-1,2-disulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-5-methoxybenzene-1,2-disulfonic acid IUPAC Name: 4-methoxy-5-(3-oxobutanoylamino)benzene-1,2-disulfonic acid Traditional Name: 4-(acetoacetylamino)-5-methoxy-benzene-1,2-disulfonic acid Formula: C11H13NO9S2 MolecularWeight: 367.35222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H13NO9S2/c1-6(13)3-11(14)12-7-4-9(22(15,16)17)10(23(18,19)20)5-8(7)21-2/h4-5H,3H2,1-2H3,(H,12,14)(H,15,16,17)(H,18,19,20)