7-(3-oxidanylidenebutanoylamino)naphthalene-1,3-disulfonic acid

Systemtic Name: 7-(3-oxidanylidenebutanoylamino)naphthalene-1,3-disulfonic acid Openeye Name: 7-(3-oxobutanoylamino)naphthalene-1,3-disulfonic acid CAS Name: 7-(1,3-dioxobutylamino)naphthalene-1,3-disulfonic acid IUPAC Name: 7-(3-oxobutanoylamino)naphthalene-1,3-disulfonic acid Traditional Name: 7-(acetoacetylamino)naphthalene-1,3-disulfonic acid Formula: C14H13NO8S2 MolecularWeight: 387.38492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO8S2/c1-8(16)4-14(17)15-10-3-2-9-5-11(24(18,19)20)7-13(12(9)6-10)25(21,22)23/h2-3,5-7H,4H2,1H3,(H,15,17)(H,18,19,20)(H,21,22,23)