5-oxidanyl-2-(propanoylamino)naphthalene-1,7-disulfonic acid

Systemtic Name: 5-oxidanyl-2-(propanoylamino)naphthalene-1,7-disulfonic acid Openeye Name: 5-hydroxy-2-(propanoylamino)naphthalene-1,7-disulfonic acid CAS Name: 5-hydroxy-2-(1-oxopropylamino)naphthalene-1,7-disulfonic acid IUPAC Name: 5-hydroxy-2-(propanoylamino)naphthalene-1,7-disulfonic acid Traditional Name: 5-hydroxy-2-propionamido-naphthalene-1,7-disulfonic acid Formula: C13H13NO8S2 MolecularWeight: 375.37422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO8S2/c1-2-12(16)14-10-4-3-8-9(13(10)24(20,21)22)5-7(6-11(8)15)23(17,18)19/h3-6,15H,2H2,1H3,(H,14,16)(H,17,18,19)(H,20,21,22)