2-(2-methyl-2-oxidanyl-heptyl)sulfanylbutanedioic acid

Systemtic Name: 2-(2-methyl-2-oxidanyl-heptyl)sulfanylbutanedioic acid Openeye Name: 2-(2-hydroxy-2-methyl-heptyl)sulfanylbutanedioic acid CAS Name: 2-[(2-hydroxy-2-methylheptyl)thio]butanedioic acid IUPAC Name: 2-(2-hydroxy-2-methylheptyl)sulfanylbutanedioic acid Traditional Name: 2-[(2-hydroxy-2-methyl-heptyl)thio]succinic acid Formula: C12H22O5S MolecularWeight: 278.36508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CSC(CC(=O)O)C(=O)O)O

Isomeric SMILES

CCCCCC(C)(CSC(CC(=O)O)C(=O)O)O

InChI

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