2-hexylsulfanyl-2-oxidanyl-butanedioic acid

Systemtic Name: 2-hexylsulfanyl-2-oxidanyl-butanedioic acid Openeye Name: 2-hexylsulfanyl-2-hydroxy-butanedioic acid CAS Name: 2-(hexylthio)-2-hydroxybutanedioic acid IUPAC Name: 2-hexylsulfanyl-2-hydroxybutanedioic acid Traditional Name: 2-(hexylthio)-2-hydroxy-succinic acid Formula: C10H18O5S MolecularWeight: 250.31192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCSC(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C10H18O5S/c1-2-3-4-5-6-16-10(15,9(13)14)7-8(11)12/h15H,2-7H2,1H3,(H,11,12)(H,13,14)