6-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonic acid

Systemtic Name: 6-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonic acid Openeye Name: 6-(3-oxobutanoylamino)naphthalene-2-sulfonic acid CAS Name: 6-(1,3-dioxobutylamino)-2-naphthalenesulfonic acid IUPAC Name: 6-(3-oxobutanoylamino)naphthalene-2-sulfonic acid Traditional Name: 6-(acetoacetylamino)naphthalene-2-sulfonic acid Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)O

InChI

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