5-[(4-nitro-2-sulfo-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1,2-disulfonic acid

Systemtic Name: 5-[(4-nitro-2-sulfo-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1,2-disulfonic acid Openeye Name: 4-hydroxy-5-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,2-disulfonic acid CAS Name: 4-hydroxy-5-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,2-disulfonic acid IUPAC Name: 4-hydroxy-5-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-1,2-disulfonic acid Traditional Name: 4-hydroxy-5-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,2-disulfonic acid Formula: C17H12N2O13S3 MolecularWeight: 548.47778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)C(=CC(=C2S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)C(=CC(=C2S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C17H12N2O13S3/c20-12-7-14(34(27,28)29)16(35(30,31)32)10-2-1-3-11(15(10)12)18-17(21)9-5-4-8(19(22)23)6-13(9)33(24,25)26/h1-7,20H,(H,18,21)(H,24,25,26)(H,27,28,29)(H,30,31,32)