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

Systemtic Name: 4-oxidanyl-5-(3-oxidanylidenebutanoylamino)naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-(3-oxobutanoylamino)naphthalene-2,7-disulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-(3-oxobutanoylamino)naphthalene-2,7-disulfonic acid Traditional Name: 4-(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=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

InChI

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