6-(3-oxidanylidenebutanoylamino)naphthalene-1,3-disulfonic acid

Systemtic Name: 6-(3-oxidanylidenebutanoylamino)naphthalene-1,3-disulfonic acid Openeye Name: 6-(3-oxobutanoylamino)naphthalene-1,3-disulfonic acid CAS Name: 6-(1,3-dioxobutylamino)naphthalene-1,3-disulfonic acid IUPAC Name: 6-(3-oxobutanoylamino)naphthalene-1,3-disulfonic acid Traditional Name: 6-(acetoacetylamino)naphthalene-1,3-disulfonic acid Formula: C14H13NO8S2 MolecularWeight: 387.38492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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