2-oxidanyl-2-(6-pyridin-3-ylhexylsulfanylmethyl)butanedioic acid

Systemtic Name: 2-oxidanyl-2-(6-pyridin-3-ylhexylsulfanylmethyl)butanedioic acid Openeye Name: 2-hydroxy-2-[6-(3-pyridyl)hexylsulfanylmethyl]butanedioic acid CAS Name: 2-hydroxy-2-[[6-(3-pyridinyl)hexylthio]methyl]butanedioic acid IUPAC Name: 2-hydroxy-2-(6-pyridin-3-ylhexylsulfanylmethyl)butanedioic acid Traditional Name: 2-hydroxy-2-[[6-(3-pyridyl)hexylthio]methyl]succinic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c18-14(19)10-16(22,15(20)21)12-23-9-4-2-1-3-6-13-7-5-8-17-11-13/h5,7-8,11,22H,1-4,6,9-10,12H2,(H,18,19)(H,20,21)