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

Systemtic Name: 3-(3-oxidanylidenebutanoylamino)naphthalene-1,5-disulfonic acid Openeye Name: 3-(3-oxobutanoylamino)naphthalene-1,5-disulfonic acid CAS Name: 3-(1,3-dioxobutylamino)naphthalene-1,5-disulfonic acid IUPAC Name: 3-(3-oxobutanoylamino)naphthalene-1,5-disulfonic acid Traditional Name: 3-(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=CC(=C2C=CC=C(C2=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C2C=CC=C(C2=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

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