4-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid

Systemtic Name: 4-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid Openeye Name: 4-(3-oxobutanoylamino)naphthalene-1-sulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-1-naphthalenesulfonic acid IUPAC Name: 4-(3-oxobutanoylamino)naphthalene-1-sulfonic acid Traditional Name: 4-(acetoacetylamino)naphthalene-1-sulfonic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C2=CC=CC=C21)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C2=CC=CC=C21)S(=O)(=O)O

InChI

InChI=1S/C14H13NO5S/c1-9(16)8-14(17)15-12-6-7-13(21(18,19)20)11-5-3-2-4-10(11)12/h2-7H,8H2,1H3,(H,15,17)(H,18,19,20)