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

Systemtic Name: 4-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 4-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,5-disulfonic acid CAS Name: 4-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 4-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-1,5-disulfonic acid Traditional Name: 4-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,5-disulfonic acid Formula: C17H12N2O12S3 MolecularWeight: 532.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H12N2O12S3/c20-17(11-5-4-9(19(21)22)8-15(11)34(29,30)31)18-12-6-7-13(32(23,24)25)10-2-1-3-14(16(10)12)33(26,27)28/h1-8H,(H,18,20)(H,23,24,25)(H,26,27,28)(H,29,30,31)