2-(7-methylsulfanylheptyl)-3-oxidanyl-butanedioic acid

Systemtic Name: 2-(7-methylsulfanylheptyl)-3-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-3-(7-methylsulfanylheptyl)butanedioic acid CAS Name: 2-hydroxy-3-[7-(methylthio)heptyl]butanedioic acid IUPAC Name: 2-hydroxy-3-(7-methylsulfanylheptyl)butanedioic acid Traditional Name: 2-hydroxy-3-[7-(methylthio)heptyl]succinic acid Formula: C12H22O5S MolecularWeight: 278.36508

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCC(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CSCCCCCCCC(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-9(11(14)15)10(13)12(16)17/h9-10,13H,2-8H2,1H3,(H,14,15)(H,16,17)