8-[(4-nitrophenyl)-sulfo-amino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4-nitrophenyl)-sulfo-amino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-(4-nitro-N-sulfo-anilino)naphthalene-1,3,6-trisulfonic acid CAS Name: 8-(4-nitro-N-sulfoanilino)naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-(4-nitro-N-sulfoanilino)naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-(4-nitro-N-sulfo-anilino)naphthalene-1,3,6-trisulfonic acid Formula: C16H12N2O14S4 MolecularWeight: 584.53148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O14S4/c19-18(20)11-3-1-10(2-4-11)17(36(30,31)32)14-7-12(33(21,22)23)5-9-6-13(34(24,25)26)8-15(16(9)14)35(27,28)29/h1-8H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)