8-[(3-cyanophenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[(3-cyanophenyl)carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[(3-cyanobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[(3-cyanophenyl)-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[(3-cyanobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[(3-cyanobenzoyl)amino]naphthalene-1,3,5-trisulfonic acid Formula: C18H12N2O10S3 MolecularWeight: 512.49028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C#N

InChI

InChI=1S/C18H12N2O10S3/c19-9-10-2-1-3-11(6-10)18(21)20-14-4-5-15(32(25,26)27)13-7-12(31(22,23)24)8-16(17(13)14)33(28,29)30/h1-8H,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)