2-[4-(2-carboxyphenyl)carbonyl-2-nitro-phenyl]sulfanylbutanedioic acid

Systemtic Name: 2-[4-(2-carboxyphenyl)carbonyl-2-nitro-phenyl]sulfanylbutanedioic acid Openeye Name: 2-[4-(2-carboxybenzoyl)-2-nitro-phenyl]sulfanylbutanedioic acid CAS Name: 2-[[4-[(2-carboxyphenyl)-oxomethyl]-2-nitrophenyl]thio]butanedioic acid IUPAC Name: 2-[4-(2-carboxybenzoyl)-2-nitrophenyl]sulfanylbutanedioic acid Traditional Name: 2-[[4-(2-carboxybenzoyl)-2-nitro-phenyl]thio]succinic acid Formula: C18H13NO9S MolecularWeight: 419.36212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO9S/c20-15(21)8-14(18(25)26)29-13-6-5-9(7-12(13)19(27)28)16(22)10-3-1-2-4-11(10)17(23)24/h1-7,14H,8H2,(H,20,21)(H,23,24)(H,25,26)