5-[[4-[(2,4-dinitrophenyl)disulfanyl]-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-[(2,4-dinitrophenyl)disulfanyl]-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-[(2,4-dinitrophenyl)disulfanyl]-1-hydroxy-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[4-[(2,4-dinitrophenyl)disulfanyl]-1-hydroxy-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-[(2,4-dinitrophenyl)disulfanyl]-1-hydroxynaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-[(2,4-dinitrophenyl)disulfanyl]-1-hydroxy-2-naphthoyl]amino]isophthalic acid Formula: C25H15N3O10S2 MolecularWeight: 581.5307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)SSC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)SSC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H15N3O10S2/c29-22-17-4-2-1-3-16(17)21(40-39-20-6-5-15(27(35)36)10-19(20)28(37)38)11-18(22)23(30)26-14-8-12(24(31)32)7-13(9-14)25(33)34/h1-11,29H,(H,26,30)(H,31,32)(H,33,34)