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

Systemtic Name: 4-oxidanyl-5-(propanoylamino)naphthalene-1,7-disulfonic acid Openeye Name: 4-hydroxy-5-(propanoylamino)naphthalene-1,7-disulfonic acid CAS Name: 4-hydroxy-5-(1-oxopropylamino)naphthalene-1,7-disulfonic acid IUPAC Name: 4-hydroxy-5-(propanoylamino)naphthalene-1,7-disulfonic acid Traditional Name: 4-hydroxy-5-propionamido-naphthalene-1,7-disulfonic acid Formula: C13H13NO8S2 MolecularWeight: 375.37422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC2=C(C=CC(=C12)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=CC2=C(C=CC(=C12)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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