3-butan-2-yl-3-[4-(carboxymethyl)-5-methyl-1-oxidanyl-1-oxidanylidene-heptan-4-yl]sulfanyl-hexanedioic acid

Systemtic Name: 3-butan-2-yl-3-[4-(carboxymethyl)-5-methyl-1-oxidanyl-1-oxidanylidene-heptan-4-yl]sulfanyl-hexanedioic acid Openeye Name: 3-[1-(carboxymethyl)-4-hydroxy-4-oxo-1-sec-butyl-butyl]sulfanyl-3-sec-butyl-hexanedioic acid CAS Name: 3-butan-2-yl-3-[[4-(carboxymethyl)-1-hydroxy-5-methyl-1-oxoheptan-4-yl]thio]hexanedioic acid IUPAC Name: 3-butan-2-yl-3-[4-(carboxymethyl)-1-hydroxy-5-methyl-1-oxoheptan-4-yl]sulfanylhexanedioic acid Traditional Name: 3-[[1-(carboxymethyl)-4-hydroxy-4-keto-1-sec-butyl-butyl]thio]-3-sec-butyl-adipic acid Formula: C20H34O8S MolecularWeight: 434.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCC(=O)O)(CC(=O)O)SC(CCC(=O)O)(CC(=O)O)C(C)CC

Isomeric SMILES

CCC(C)C(CCC(=O)O)(CC(=O)O)SC(CCC(=O)O)(CC(=O)O)C(C)CC

InChI

InChI=1S/C20H34O8S/c1-5-13(3)19(11-17(25)26,9-7-15(21)22)29-20(12-18(27)28,14(4)6-2)10-8-16(23)24/h13-14H,5-12H2,1-4H3,(H,21,22)(H,23,24)(H,25,26)(H,27,28)