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

Systemtic Name: 5-[[4-(2-nitrophenyl)sulfanyl-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[1-hydroxy-4-(2-nitrophenyl)sulfanyl-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[1-hydroxy-4-(2-nitrophenyl)sulfanylnaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[1-hydroxy-4-[(2-nitrophenyl)thio]-2-naphthoyl]amino]isophthalic acid Formula: C25H16N2O8S MolecularWeight: 504.46814

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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)SC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)SC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H16N2O8S/c28-22-17-6-2-1-5-16(17)21(36-20-8-4-3-7-19(20)27(34)35)12-18(22)23(29)26-15-10-13(24(30)31)9-14(11-15)25(32)33/h1-12,28H,(H,26,29)(H,30,31)(H,32,33)