2-oxidanyl-2-(6-pyridin-2-ylhexylsulfanylmethyl)butanedioic acid

Systemtic Name: 2-oxidanyl-2-(6-pyridin-2-ylhexylsulfanylmethyl)butanedioic acid Openeye Name: 2-hydroxy-2-[6-(2-pyridyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-hydroxy-2-[[6-(2-pyridinyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-(6-pyridin-2-ylhexylsulfanylmethyl)butanedioic acid Traditional Name: 2-hydroxy-2-[[6-(2-pyridyl)hexylthio]methyl]succinic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCCCCCSCC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CCCCCCSCC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H23NO5S/c18-14(19)11-16(22,15(20)21)12-23-10-6-2-1-3-7-13-8-4-5-9-17-13/h4-5,8-9,22H,1-3,6-7,10-12H2,(H,18,19)(H,20,21)