3-oxidanyl-7-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid

Systemtic Name: 3-oxidanyl-7-(3-oxidanylidenebutanoylamino)naphthalene-1-sulfonic acid Openeye Name: 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonic acid CAS Name: 7-(1,3-dioxobutylamino)-3-hydroxy-1-naphthalenesulfonic acid IUPAC Name: 3-hydroxy-7-(3-oxobutanoylamino)naphthalene-1-sulfonic acid Traditional Name: 7-(acetoacetylamino)-3-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=CC2=C(C=C(C=C2C=C1)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC2=C(C=C(C=C2C=C1)O)S(=O)(=O)O

InChI

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