4-methyl-4-(sulfanylmethyl)heptanedioic acid

Systemtic Name: 4-methyl-4-(sulfanylmethyl)heptanedioic acid Openeye Name: 4-methyl-4-(sulfanylmethyl)heptanedioic acid CAS Name: 4-(mercaptomethyl)-4-methylheptanedioic acid IUPAC Name: 4-methyl-4-(sulfanylmethyl)heptanedioic acid Traditional Name: 4-(mercaptomethyl)-4-methyl-pimelic acid Formula: C9H16O4S MolecularWeight: 220.28594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(CCC(=O)O)CS

Isomeric SMILES

CC(CCC(=O)O)(CCC(=O)O)CS

InChI

InChI=1S/C9H16O4S/c1-9(6-14,4-2-7(10)11)5-3-8(12)13/h14H,2-6H2,1H3,(H,10,11)(H,12,13)