7-[(3-aminophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 7-[(3-aminophenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 7-[(3-aminobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 7-[[(3-aminophenyl)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 7-[(3-aminobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 7-[(3-aminobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Formula: C17H14N2O10S3 MolecularWeight: 502.49546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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