4-(3-oxidanylidenebutanoylamino)naphthalene-1,5-disulfonic acid

Systemtic Name: 4-(3-oxidanylidenebutanoylamino)naphthalene-1,5-disulfonic acid Openeye Name: 4-(3-oxobutanoylamino)naphthalene-1,5-disulfonic acid CAS Name: 4-(1,3-dioxobutylamino)naphthalene-1,5-disulfonic acid IUPAC Name: 4-(3-oxobutanoylamino)naphthalene-1,5-disulfonic acid Traditional Name: 4-(acetoacetylamino)naphthalene-1,5-disulfonic acid Formula: C14H13NO8S2 MolecularWeight: 387.38492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=C2S(=O)(=O)O

InChI

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