2,2,3-tributyl-3-(3-carboxy-1-oxidanyl-1-oxidanylidene-heptan-3-yl)sulfanyl-butanedioic acid

Systemtic Name: 2,2,3-tributyl-3-(3-carboxy-1-oxidanyl-1-oxidanylidene-heptan-3-yl)sulfanyl-butanedioic acid Openeye Name: 2,2,3-tributyl-3-[1-carboxy-1-(carboxymethyl)pentyl]sulfanyl-butanedioic acid CAS Name: 2,2,3-tributyl-3-[(3-carboxy-1-hydroxy-1-oxoheptan-3-yl)thio]butanedioic acid IUPAC Name: 2,2,3-tributyl-3-(3-carboxy-1-hydroxy-1-oxoheptan-3-yl)sulfanylbutanedioic acid Traditional Name: 2,2,3-tributyl-3-[[1-carboxy-1-(carboxymethyl)pentyl]thio]succinic acid Formula: C24H42O8S MolecularWeight: 490.65048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)O)C(CCCC)(C(=O)O)SC(CCCC)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CCCC)(C(=O)O)C(CCCC)(C(=O)O)SC(CCCC)(CC(=O)O)C(=O)O

InChI

InChI=1S/C24H42O8S/c1-5-9-13-22(19(27)28,14-10-6-2)24(21(31)32,16-12-8-4)33-23(20(29)30,15-11-7-3)17-18(25)26/h5-17H2,1-4H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32)