3-[(3-nitro-5-sulfo-phenyl)carbonylamino]-5-sulfo-benzoic acid

Systemtic Name: 3-[(3-nitro-5-sulfo-phenyl)carbonylamino]-5-sulfo-benzoic acid Openeye Name: 3-[(3-nitro-5-sulfo-benzoyl)amino]-5-sulfo-benzoic acid CAS Name: 3-[[(3-nitro-5-sulfophenyl)-oxomethyl]amino]-5-sulfobenzoic acid IUPAC Name: 3-[(3-nitro-5-sulfobenzoyl)amino]-5-sulfobenzoic acid Traditional Name: 3-[(3-nitro-5-sulfo-benzoyl)amino]-5-sulfo-benzoic acid Formula: C14H10N2O11S2 MolecularWeight: 446.366

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)C2=CC(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)C2=CC(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H10N2O11S2/c17-13(7-2-10(16(20)21)6-12(3-7)29(25,26)27)15-9-1-8(14(18)19)4-11(5-9)28(22,23)24/h1-6H,(H,15,17)(H,18,19)(H,22,23,24)(H,25,26,27)