2-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid

Systemtic Name: 2-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid Openeye Name: 2-(3-oxobutanoylamino)naphthalene-1-sulfonic acid CAS Name: 2-(1,3-dioxobutylamino)-1-naphthalenesulfonic acid IUPAC Name: 2-(3-oxobutanoylamino)naphthalene-1-sulfonic acid Traditional Name: 2-(acetoacetylamino)naphthalene-1-sulfonic acid Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O

InChI

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