5-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid

Systemtic Name: 5-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid Openeye Name: 5-(3-oxobutanoylamino)naphthalene-1-sulfonic acid CAS Name: 5-(1,3-dioxobutylamino)-1-naphthalenesulfonic acid IUPAC Name: 5-(3-oxobutanoylamino)naphthalene-1-sulfonic acid Traditional Name: 5-(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=CC2=C1C=CC=C2S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=CC2=C1C=CC=C2S(=O)(=O)O

InChI

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