6-methoxy-5-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonic acid

Systemtic Name: 6-methoxy-5-(3-oxidanylidenebutanoylamino)naphthalene-2-sulfonic acid Openeye Name: 6-methoxy-5-(3-oxobutanoylamino)naphthalene-2-sulfonic acid CAS Name: 5-(1,3-dioxobutylamino)-6-methoxy-2-naphthalenesulfonic acid IUPAC Name: 6-methoxy-5-(3-oxobutanoylamino)naphthalene-2-sulfonic acid Traditional Name: 5-(acetoacetylamino)-6-methoxy-naphthalene-2-sulfonic acid Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=CC2=C1C=CC(=C2)S(=O)(=O)O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=CC2=C1C=CC(=C2)S(=O)(=O)O)OC

InChI

InChI=1S/C15H15NO6S/c1-9(17)7-14(18)16-15-12-5-4-11(23(19,20)21)8-10(12)3-6-13(15)22-2/h3-6,8H,7H2,1-2H3,(H,16,18)(H,19,20,21)