5-oxidanyl-4-(3-oxidanylidenebutanoylamino)naphthalene-1,7-disulfonic acid

Systemtic Name: 5-oxidanyl-4-(3-oxidanylidenebutanoylamino)naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-4-(3-oxobutanoylamino)naphthalene-1,7-disulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-5-hydroxynaphthalene-1,7-disulfonic acid IUPAC Name: 5-hydroxy-4-(3-oxobutanoylamino)naphthalene-1,7-disulfonic acid Traditional Name: 4-(acetoacetylamino)-5-hydroxy-naphthalene-1,7-disulfonic acid Formula: C14H13NO9S2 MolecularWeight: 403.38432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C14H13NO9S2/c1-7(16)4-13(18)15-10-2-3-12(26(22,23)24)9-5-8(25(19,20)21)6-11(17)14(9)10/h2-3,5-6,17H,4H2,1H3,(H,15,18)(H,19,20,21)(H,22,23,24)