8-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-1,6-disulfonic acid

Systemtic Name: 8-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-1,6-disulfonic acid Openeye Name: 8-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,6-disulfonic acid CAS Name: 8-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,6-disulfonic acid IUPAC Name: 8-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-1,6-disulfonic acid Traditional Name: 8-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,6-disulfonic acid Formula: C17H12N2O12S3 MolecularWeight: 532.47838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=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=CC(=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(12-5-4-10(19(21)22)7-15(12)34(29,30)31)18-13-8-11(32(23,24)25)6-9-2-1-3-14(16(9)13)33(26,27)28/h1-8H,(H,18,20)(H,23,24,25)(H,26,27,28)(H,29,30,31)