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

Systemtic Name: 8-[(4-nitrophenyl)carbonyl-sulfo-amino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(4-nitrobenzoyl)-sulfo-amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(4-nitrophenyl)-oxomethyl]-sulfoamino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4-nitrobenzoyl)-sulfoamino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(4-nitrobenzoyl)-sulfo-amino]naphthalene-1,3,6-trisulfonic acid Formula: C17H12N2O15S4 MolecularWeight: 612.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N(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=C1C(=O)N(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/C17H12N2O15S4/c20-17(9-1-3-11(4-2-9)19(21)22)18(38(32,33)34)14-7-12(35(23,24)25)5-10-6-13(36(26,27)28)8-15(16(10)14)37(29,30)31/h1-8H,(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)