5-oxidanyl-3-(3-oxidanylidenebutanoylamino)naphthalene-2,7-disulfonic acid

Systemtic Name: 5-oxidanyl-3-(3-oxidanylidenebutanoylamino)naphthalene-2,7-disulfonic acid Openeye Name: 5-hydroxy-3-(3-oxobutanoylamino)naphthalene-2,7-disulfonic acid CAS Name: 3-(1,3-dioxobutylamino)-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 5-hydroxy-3-(3-oxobutanoylamino)naphthalene-2,7-disulfonic acid Traditional Name: 3-(acetoacetylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C14H13NO9S2 MolecularWeight: 403.38432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H13NO9S2/c1-7(16)2-14(18)15-11-6-10-8(4-13(11)26(22,23)24)3-9(5-12(10)17)25(19,20)21/h3-6,17H,2H2,1H3,(H,15,18)(H,19,20,21)(H,22,23,24)