4-oxidanyl-8-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonic acid

Systemtic Name: 4-oxidanyl-8-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-8-(3-oxobutanoylamino)naphthalene-2-sulfonic acid CAS Name: 8-(1,3-dioxobutylamino)-4-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-8-(3-oxobutanoylamino)naphthalene-2-sulfonic acid Traditional Name: 8-(acetoacetylamino)-4-hydroxy-naphthalene-2-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=C(C=C21)S(=O)(=O)O)O

Isomeric SMILES

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

InChI

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