8-[(3-aminophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(3-aminophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(3-aminobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(3-aminophenyl)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(3-aminobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(3-aminobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Formula: C17H14N2O10S3 MolecularWeight: 502.49546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H14N2O10S3/c18-11-3-1-2-9(4-11)17(20)19-14-7-12(30(21,22)23)5-10-6-13(31(24,25)26)8-15(16(10)14)32(27,28)29/h1-8H,18H2,(H,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)