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

Systemtic Name: 4-oxidanyl-5-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-5-(3-oxobutanoylamino)naphthalene-1-sulfonic acid CAS Name: 5-(1,3-dioxobutylamino)-4-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-5-(3-oxobutanoylamino)naphthalene-1-sulfonic acid Traditional Name: 5-(acetoacetylamino)-4-hydroxy-naphthalene-1-sulfonic acid Formula: C14H13NO6S MolecularWeight: 323.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=CC2=C(C=CC(=C21)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=CC2=C(C=CC(=C21)O)S(=O)(=O)O

InChI

InChI=1S/C14H13NO6S/c1-8(16)7-13(18)15-10-4-2-3-9-12(22(19,20)21)6-5-11(17)14(9)10/h2-6,17H,7H2,1H3,(H,15,18)(H,19,20,21)