8-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid

Systemtic Name: 8-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-1,3,6-trisulfonic acid Openeye Name: 8-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,3,6-trisulfonic acid CAS Name: 8-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,3,6-trisulfonic acid IUPAC Name: 8-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-1,3,6-trisulfonic acid Traditional Name: 8-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,3,6-trisulfonic acid Formula: C17H12N2O15S4 MolecularWeight: 612.54158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H12N2O15S4/c20-17(12-2-1-9(19(21)22)5-14(12)37(29,30)31)18-13-6-10(35(23,24)25)3-8-4-11(36(26,27)28)7-15(16(8)13)38(32,33)34/h1-7H,(H,18,20)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)