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

Systemtic Name: 2-azanyl-5-(3-oxidanylidenebutanoylamino)benzene-1,3-disulfonic acid Openeye Name: 2-amino-5-(3-oxobutanoylamino)benzene-1,3-disulfonic acid CAS Name: 2-amino-5-(1,3-dioxobutylamino)benzene-1,3-disulfonic acid IUPAC Name: 2-amino-5-(3-oxobutanoylamino)benzene-1,3-disulfonic acid Traditional Name: 5-(acetoacetylamino)-2-amino-benzene-1,3-disulfonic acid Formula: C10H12N2O8S2 MolecularWeight: 352.34088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C(=C1)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C(=C1)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C10H12N2O8S2/c1-5(13)2-9(14)12-6-3-7(21(15,16)17)10(11)8(4-6)22(18,19)20/h3-4H,2,11H2,1H3,(H,12,14)(H,15,16,17)(H,18,19,20)