5-[[3-nitro-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid

Systemtic Name: 5-[[3-nitro-5-[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2-sulfonic acid Openeye Name: 5-[[3-nitro-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid CAS Name: 5-[[[3-nitro-5-[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]phenyl]-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-[[3-nitro-5-[(6-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Traditional Name: 5-[[3-nitro-5-[(6-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2-sulfonic acid Formula: C28H19N3O10S2 MolecularWeight: 621.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C28H19N3O10S2/c32-27(29-25-5-1-3-16-14-21(42(36,37)38)7-9-23(16)25)18-11-19(13-20(12-18)31(34)35)28(33)30-26-6-2-4-17-15-22(43(39,40)41)8-10-24(17)26/h1-15H,(H,29,32)(H,30,33)(H,36,37,38)(H,39,40,41)