4-oxidanyl-8-(3-oxidanylidenebutanoylamino)naphthalene-2,6-disulfonic acid

Systemtic Name: 4-oxidanyl-8-(3-oxidanylidenebutanoylamino)naphthalene-2,6-disulfonic acid Openeye Name: 4-hydroxy-8-(3-oxobutanoylamino)naphthalene-2,6-disulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-8-hydroxynaphthalene-2,6-disulfonic acid IUPAC Name: 4-hydroxy-8-(3-oxobutanoylamino)naphthalene-2,6-disulfonic acid Traditional Name: 4-(acetoacetylamino)-8-hydroxy-naphthalene-2,6-disulfonic acid Formula: C14H13NO9S2 MolecularWeight: 403.38432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=CC2=C(C=C(C=C12)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=CC2=C(C=C(C=C12)S(=O)(=O)O)O)S(=O)(=O)O

InChI

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