2-[6-(2-nitrophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-(2-nitrophenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-2-[6-(2-nitrophenyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-hydroxy-2-[[6-(2-nitrophenyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-[6-(2-nitrophenyl)hexylsulfanylmethyl]butanedioic acid Traditional Name: 2-hydroxy-2-[[6-(2-nitrophenyl)hexylthio]methyl]succinic acid Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO7S/c19-15(20)11-17(23,16(21)22)12-26-10-6-2-1-3-7-13-8-4-5-9-14(13)18(24)25/h4-5,8-9,23H,1-3,6-7,10-12H2,(H,19,20)(H,21,22)